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: 15
Patents: 188.09496 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.10224	146.0
[M+Na]+	211.08418	156.4
[M+NH4]+	206.12878	150.3
[M+K]+	227.05812	147.3
[M-H]-	187.08768	140.7
[M+Na-2H]-	209.06963	149.5
[M]+	188.09441	144.9
[M]-	188.09551	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe