CID 439922

2-(2-carboxyacetamido)benzoic acid

Structural Information

Molecular Formula
C10H9NO5
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)CC(=O)O
InChI
InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey
ZDSSCYCDBASEJQ-UHFFFAOYSA-N
Compound name
2-[(2-carboxyacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

98
Patents

223.04807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.055346 145.1
[M+Na]+ 246.037288 151.0
[M-H]- 222.040794 146.1
[M+NH4]+ 241.081893 161.1
[M+K]+ 262.011228 149.5
[M+H-H2O]+ 206.045330 138.9
[M+HCOO]- 268.046271 166.0
[M+CH3COO]- 282.061921 185.4
[M+Na-2H]- 244.022736 147.7
[M]+ 223.04752142 144.3
[M]- 223.04861858 144.3
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