CID 2380464

2-cyano-n-(2,6-dimethylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.09496 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe