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 157.2
[M+Na]+ 251.11549 164.2
[M-H]- 227.11899 161.9
[M+NH4]+ 246.16009 174.2
[M+K]+ 267.08943 158.5
[M+H-H2O]+ 211.12353 143.9
[M+HCOO]- 273.12447 174.4
[M+CH3COO]- 287.14012 201.4
[M+Na-2H]- 249.10094 161.7
[M]+ 228.12572 147.0
[M]- 228.12682 147.0
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

No patent data available for this compound.