CID 2345033

2-cyano-n-(3,4-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)CC#N)C
InChI
InChI=1S/C11H12N2O/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKey
IOVXWSZVPOVPHF-UHFFFAOYSA-N
Compound name
2-cyano-N-(3,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 143.7
[M+Na]+ 211.084178 153.3
[M-H]- 187.087684 147.3
[M+NH4]+ 206.128783 161.5
[M+K]+ 227.058118 150.4
[M+H-H2O]+ 171.092220 131.3
[M+HCOO]- 233.093161 164.3
[M+CH3COO]- 247.108811 198.7
[M+Na-2H]- 209.069626 147.9
[M]+ 188.09441142 139.1
[M]- 188.09550858 139.1
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