CID 199610

N-(1-cyanocyclohexyl)acetamide

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(=O)NC1(CCCCC1)C#N
InChI
InChI=1S/C9H14N2O/c1-8(12)11-9(7-10)5-3-2-4-6-9/h2-6H2,1H3,(H,11,12)
InChIKey
HJKUYXOMJJUMLV-UHFFFAOYSA-N
Compound name
N-(1-cyanocyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

166.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 138.2
[M+Na]+ 189.099828 145.5
[M-H]- 165.103334 141.2
[M+NH4]+ 184.144433 158.0
[M+K]+ 205.073768 142.8
[M+H-H2O]+ 149.107870 126.9
[M+HCOO]- 211.108811 155.7
[M+CH3COO]- 225.124461 191.8
[M+Na-2H]- 187.085276 143.4
[M]+ 166.11006142 129.0
[M]- 166.11115858 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe