Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42975
Common Name:	Mecamylamine
Systematic Name:	N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
Synonyms:	[PubChem Synonyms]
Exact Mass:	167.1674 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C11H21N
InChIKey:	IMYZQPCYWPFTAG-UHFFFAOYSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
MoNA MS spectra:	View MS spectra
SMILES:	CC1(C)C2CCC(C2)C1(C)NC
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4032
CHEBI ID:	100880
HMDB ID:	HMDB0014795
KEGG ID:	C07511
Chemspider ID:	3892
EPA CompTox DB:	DTXCID903240
Plant Metabolite Hub(Pmhub):	MS000009718

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y