CID 4536051

N-(1-cyanopropyl)benzamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CCC(C#N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)
InChIKey
UAMIRZPPHTZDMI-UHFFFAOYSA-N
Compound name
N-(1-cyanopropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 146.0
[M+Na]+ 211.084178 153.7
[M-H]- 187.087684 148.8
[M+NH4]+ 206.128783 163.0
[M+K]+ 227.058118 150.9
[M+H-H2O]+ 171.092220 133.1
[M+HCOO]- 233.093161 165.6
[M+CH3COO]- 247.108811 197.4
[M+Na-2H]- 209.069626 150.2
[M]+ 188.09441142 140.1
[M]- 188.09550858 140.1
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

patents stripe