CID 54594318

N-[cyano(cyclopropyl)methyl]benzamide

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CC1C(C#N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c13-8-11(9-6-7-9)14-12(15)10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,14,15)
InChIKey
HRRFWVYCMGWODL-UHFFFAOYSA-N
Compound name
N-[cyano(cyclopropyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.9
[M+Na]+ 223.084178 156.2
[M-H]- 199.087684 150.8
[M+NH4]+ 218.128783 156.9
[M+K]+ 239.058118 149.4
[M+H-H2O]+ 183.092220 132.4
[M+HCOO]- 245.093161 164.6
[M+CH3COO]- 259.108811 201.3
[M+Na-2H]- 221.069626 149.2
[M]+ 200.09441142 140.4
[M]- 200.09550858 140.4
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.