CID 12639204

2-acetamido-3-methylbenzoic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=C(C(=CC=C1)C(=O)O)NC(=O)C
InChI
InChI=1S/C10H11NO3/c1-6-4-3-5-8(10(13)14)9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey
LUSVQRVZKWYZSU-UHFFFAOYSA-N
Compound name
2-acetamido-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

193.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.2
[M+Na]+ 216.06312 151.9
[M+NH4]+ 211.10772 147.8
[M+K]+ 232.03706 147.7
[M-H]- 192.06662 141.9
[M+Na-2H]- 214.04857 145.9
[M]+ 193.07335 142.6
[M]- 193.07445 142.6
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