CID 71315668

67587-24-0

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC(=O)NC(=C1)C2CCCCC2

InChI

InChI=1S/C12H17NO/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,13,14)

InChIKey

USGUFDUEIADEJP-UHFFFAOYSA-N

Compound name

6-cyclohexyl-4-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.13101 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.13829	142.6
[M+Na]+	214.12023	148.7
[M-H]-	190.12373	146.1
[M+NH4]+	209.16483	160.0
[M+K]+	230.09417	144.8
[M+H-H2O]+	174.12827	135.3
[M+HCOO]-	236.12921	160.9
[M+CH3COO]-	250.14486	180.6
[M+Na-2H]-	212.10568	146.8
[M]+	191.13046	136.8
[M]-	191.13156	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe