CID 10931777

3-(1h-imidazol-1-yl)cyclohexanone

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC(CC(=O)C1)N2C=CN=C2

InChI

InChI=1S/C9H12N2O/c12-9-3-1-2-8(6-9)11-5-4-10-7-11/h4-5,7-8H,1-3,6H2

InChIKey

DCFJJTOEINUMBH-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 164.09496 Da
Monoisotopic Mass: 0.1
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]+	165.10224	136.2
[M+Na]+	187.08418	147.9
[M+NH4]+	182.12878	144.7
[M+K]+	203.05812	143.3
[M-H]-	163.08768	138.5
[M+Na-2H]-	185.06963	142.8
[M]+	164.09441	138.3
[M]-	164.09551	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe