CID 8443

120-66-1

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=CC=C1NC(=O)C
InChI
InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
BPEXTIMJLDWDTL-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

1460
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.0
[M+Na]+ 172.07328 137.7
[M-H]- 148.07678 134.1
[M+NH4]+ 167.11788 151.3
[M+K]+ 188.04722 136.2
[M+H-H2O]+ 132.08132 124.5
[M+HCOO]- 194.08226 155.1
[M+CH3COO]- 208.09791 178.5
[M+Na-2H]- 170.05873 136.7
[M]+ 149.08351 129.6
[M]- 149.08461 129.6
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