CID 36277

32921-23-6

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CCC(CC1)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h6-10H,1-5H2

InChIKey

RTTGIHAIWOHFBI-UHFFFAOYSA-N

Compound name

cyclohexyl(pyridin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 189.11537 Da
Monoisotopic Mass: 2.6
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]+	190.122646	142.2
[M+Na]+	212.104588	146.5
[M-H]-	188.108094	146.3
[M+NH4]+	207.149193	159.5
[M+K]+	228.078528	144.0
[M+H-H2O]+	172.112630	134.2
[M+HCOO]-	234.113571	161.0
[M+CH3COO]-	248.129221	181.7
[M+Na-2H]-	210.090036	147.1
[M]+	189.11482142	136.8
[M]-	189.11591858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe