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 142.9
[M+Na]+ 223.08418 156.2
[M-H]- 199.08768 150.8
[M+NH4]+ 218.12878 156.9
[M+K]+ 239.05812 149.4
[M+H-H2O]+ 183.09222 132.4
[M+HCOO]- 245.09316 164.6
[M+CH3COO]- 259.10881 201.3
[M+Na-2H]- 221.06963 149.2
[M]+ 200.09441 140.4
[M]- 200.09551 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.