CID 16383207

N-(3-cyanophenyl)-2-methylpropanamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC(C)C(=O)NC1=CC=CC(=C1)C#N
InChI
InChI=1S/C11H12N2O/c1-8(2)11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKey
JWBISRKEEZGPFB-UHFFFAOYSA-N
Compound name
N-(3-cyanophenyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

188.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 145.5
[M+Na]+ 211.084178 154.0
[M-H]- 187.087684 148.7
[M+NH4]+ 206.128783 162.9
[M+K]+ 227.058118 151.4
[M+H-H2O]+ 171.092220 132.9
[M+HCOO]- 233.093161 165.2
[M+CH3COO]- 247.108811 198.4
[M+Na-2H]- 209.069626 149.1
[M]+ 188.09441142 140.0
[M]- 188.09550858 140.0
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