CID 693152

2-cyano-n-(4-methylphenyl)acetamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=CC=C(C=C1)NC(=O)CC#N
InChI
InChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
QJUSLYUHZWAKLF-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

174.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 140.2
[M+Na]+ 197.06854 149.3
[M-H]- 173.07204 143.5
[M+NH4]+ 192.11314 158.1
[M+K]+ 213.04248 146.5
[M+H-H2O]+ 157.07658 127.6
[M+HCOO]- 219.07752 161.0
[M+CH3COO]- 233.09317 194.9
[M+Na-2H]- 195.05399 145.4
[M]+ 174.07877 134.9
[M]- 174.07987 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