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]+ 201.10224 149.6
[M+Na]+ 223.08418 161.2
[M+NH4]+ 218.12878 154.8
[M+K]+ 239.05812 153.6
[M-H]- 199.08768 151.9
[M+Na-2H]- 221.06963 156.0
[M]+ 200.09441 151.9
[M]- 200.09551 151.9
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.