CID 2737380

4-acetamido-2-methylbenzonitrile

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=C(C=CC(=C1)NC(=O)C)C#N
InChI
InChI=1S/C10H10N2O/c1-7-5-10(12-8(2)13)4-3-9(7)6-11/h3-5H,1-2H3,(H,12,13)
InChIKey
SRCREJLHAPEANJ-UHFFFAOYSA-N
Compound name
N-(4-cyano-3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 139.7
[M+Na]+ 197.06854 149.7
[M-H]- 173.07204 143.4
[M+NH4]+ 192.11314 158.0
[M+K]+ 213.04248 147.0
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 160.6
[M+CH3COO]- 233.09317 196.0
[M+Na-2H]- 195.05399 144.4
[M]+ 174.07877 134.8
[M]- 174.07987 134.8
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