RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199980
RefMet name	Capric dimethyl amine oxide
Systematic name	N,N-dimethyldecanamine oxide
Synonyms	PubChem Synonyms
Exact mass	201.209265 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C12H27NO	View other entries in RefMet with this formula
Molecular descriptors
Molfile	147186 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
InChIKey	ZRKZFNZPJKEWPC-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCC[N+](C)(C)[O-] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Aminoxides
Sub Class	Long-chain alkyl amine oxides
Distribution of Capric dimethyl amine oxide in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Capric dimethyl amine oxide
External Links
Pubchem CID	62452
ChEBI ID	41899
EPA CompTox	DTXCID5022190
ChEMBL DB	CHEMBL1232157
Drugbank DB	DB02613
Spectral data for Capric dimethyl amine oxide standards
MassBank(EU)	View MS spectra