CID 225483

4-[(carboxymethyl)amino]benzoic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC(=CC=C1C(=O)O)NCC(=O)O
InChI
InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)
InChIKey
YJEYSNOXMPDLJC-UHFFFAOYSA-N
Compound name
4-(carboxymethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

52
References

370
Patents

195.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.9
[M+Na]+ 218.04238 145.2
[M-H]- 194.04588 140.0
[M+NH4]+ 213.08698 156.2
[M+K]+ 234.01632 143.4
[M+H-H2O]+ 178.05042 133.0
[M+HCOO]- 240.05136 160.7
[M+CH3COO]- 254.06701 180.6
[M+Na-2H]- 216.02783 143.2
[M]+ 195.05261 137.7
[M]- 195.05371 137.7
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