CID 84786

3-acetamido-5-aminobenzoic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(=O)NC1=CC(=CC(=C1)N)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-5(12)11-8-3-6(9(13)14)2-7(10)4-8/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey
SETVYNZSWPLKAO-UHFFFAOYSA-N
Compound name
3-acetamido-5-aminobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

194.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 141.1
[M+Na]+ 217.05836 150.3
[M+NH4]+ 212.10296 147.2
[M+K]+ 233.03230 147.0
[M-H]- 193.06186 141.8
[M+Na-2H]- 215.04381 145.2
[M]+ 194.06859 142.1
[M]- 194.06969 142.1
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