CID 25239377

3-acetamido-2-methylbenzoic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=C(C=CC=C1NC(=O)C)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-6-8(10(13)14)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey
NWXFTFZSOVTXIX-UHFFFAOYSA-N
Compound name
3-acetamido-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 139.8
[M+Na]+ 216.06312 147.3
[M-H]- 192.06662 142.7
[M+NH4]+ 211.10772 158.5
[M+K]+ 232.03706 145.7
[M+H-H2O]+ 176.07116 134.1
[M+HCOO]- 238.07210 162.6
[M+CH3COO]- 252.08775 184.5
[M+Na-2H]- 214.04857 143.4
[M]+ 193.07335 139.8
[M]- 193.07445 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe