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

74
Patents

188.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 145.5
[M+Na]+ 211.08418 154.0
[M-H]- 187.08768 148.7
[M+NH4]+ 206.12878 162.9
[M+K]+ 227.05812 151.4
[M+H-H2O]+ 171.09222 132.9
[M+HCOO]- 233.09316 165.2
[M+CH3COO]- 247.10881 198.4
[M+Na-2H]- 209.06963 149.1
[M]+ 188.09441 140.0
[M]- 188.09551 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