CID 242640

2-(para-tolyl)-acetamide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=C(C=C1)CC(=O)N
InChI
InChI=1S/C9H11NO/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKey
NMQPIBPZSLMCFI-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

792
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.5
[M+Na]+ 172.07328 138.0
[M-H]- 148.07678 134.0
[M+NH4]+ 167.11788 151.4
[M+K]+ 188.04722 136.1
[M+H-H2O]+ 132.08132 124.9
[M+HCOO]- 194.08226 154.9
[M+CH3COO]- 208.09791 178.5
[M+Na-2H]- 170.05873 136.0
[M]+ 149.08351 129.1
[M]- 149.08461 129.1
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