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

0
Patents

188.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 143.7
[M+Na]+ 211.08418 153.3
[M-H]- 187.08768 147.3
[M+NH4]+ 206.12878 161.5
[M+K]+ 227.05812 150.4
[M+H-H2O]+ 171.09222 131.3
[M+HCOO]- 233.09316 164.3
[M+CH3COO]- 247.10881 198.7
[M+Na-2H]- 209.06963 147.9
[M]+ 188.09441 139.1
[M]- 188.09551 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