CID 3080562

256657-23-5

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)N
InChI
InChI=1S/C9H10N2O3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChIKey
DEFPNMKDESPGBA-UHFFFAOYSA-N
Compound name
2-[(2-aminobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

730
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 140.3
[M+Na]+ 217.05836 146.4
[M-H]- 193.06186 142.3
[M+NH4]+ 212.10296 157.9
[M+K]+ 233.03230 144.6
[M+H-H2O]+ 177.06640 134.0
[M+HCOO]- 239.06734 163.8
[M+CH3COO]- 253.08299 184.8
[M+Na-2H]- 215.04381 144.3
[M]+ 194.06859 137.7
[M]- 194.06969 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