CID 569482

N-(1-cyanocyclohexyl)benzamide

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CCC(CC1)(C#N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O/c15-11-14(9-5-2-6-10-14)16-13(17)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17)
InChIKey
CFCBDGZNNIYDQX-UHFFFAOYSA-N
Compound name
N-(1-cyanocyclohexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 157.9
[M+Na]+ 251.11549 168.4
[M+NH4]+ 246.16009 164.1
[M+K]+ 267.08943 156.5
[M-H]- 227.11899 154.6
[M+Na-2H]- 249.10094 163.6
[M]+ 228.12572 157.6
[M]- 228.12682 157.6
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

No patent data available for this compound.