CID 304920

2-cyano-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=CC=CC=C1NC(=O)CC#N
InChI
InChI=1S/C10H10N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
YNVNCLRDLWQWAA-UHFFFAOYSA-N
Compound name
2-cyano-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

174.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 140.2
[M+Na]+ 197.068538 149.3
[M-H]- 173.072044 143.5
[M+NH4]+ 192.113143 158.1
[M+K]+ 213.042478 146.5
[M+H-H2O]+ 157.076580 127.6
[M+HCOO]- 219.077521 161.0
[M+CH3COO]- 233.093171 194.9
[M+Na-2H]- 195.053986 145.4
[M]+ 174.07877142 134.9
[M]- 174.07986858 134.9
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