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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 146.0
[M+Na]+ 211.08418 153.7
[M-H]- 187.08768 148.8
[M+NH4]+ 206.12878 163.0
[M+K]+ 227.05812 150.9
[M+H-H2O]+ 171.09222 133.1
[M+HCOO]- 233.09316 165.6
[M+CH3COO]- 247.10881 197.4
[M+Na-2H]- 209.06963 150.2
[M]+ 188.09441 140.1
[M]- 188.09551 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