RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199890
RefMet name	Diethyl dicarbonate
Systematic name	diethyl dicarbonate
Synonyms	PubChem Synonyms
Exact mass	162.052823 (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	C6H10O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	45764 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	FFYPMLJYZAEMQB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCOC(=O)OC(=O)OCC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organic carbonic acids
Sub Class	Organic carbonic acids
Distribution of Diethyl dicarbonate 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 Diethyl dicarbonate
External Links
Pubchem CID	3051
ChEBI ID	59051
KEGG ID	C11592
HMDB ID	HMDB0032873
Chemspider ID	2943
MetaCyc ID	DIETHYLPYROCARBONATE
EPA CompTox	DTXCID1030319