CID 243432

3-acetamido-4-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
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

No literature data available for this compound.

Patent stripe

patents stripe