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

13
Patents

164.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.7
[M+Na]+ 187.084178 141.4
[M-H]- 163.087684 138.2
[M+NH4]+ 182.128783 154.0
[M+K]+ 203.058118 139.4
[M+H-H2O]+ 147.092220 126.7
[M+HCOO]- 209.093161 154.9
[M+CH3COO]- 223.108811 175.6
[M+Na-2H]- 185.069626 138.9
[M]+ 164.09441142 130.5
[M]- 164.09550858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe