Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	57229
Common Name:	(R)-alpha-campholenaldehyde
Systematic Name:	[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
RefMet Name:	(R)-alpha-Campholenaldehyde
Synonyms:	(+)-campholenic aldehyde; (R)-(+)-campholenic aldehyde; (R)-2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde; alpha-Campholenal [PubChem Synonyms]
Exact Mass:	152.1201 (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:	C10H16O
InChIKey:	OGCGGWYLHSJRFY-SECBINFHSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
MoNA MS spectra:	View MS spectra
SMILES:	CC1=CC[C@H](CC=O)C1(C)C
Studies:	Available studies (via RefMet name)

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PubChem CID:	1252759
CHEBI ID:	49150

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