CID 1297

134052-66-7

Structural Information

Molecular Formula
C9H9NO5
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O
InChI
InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)
InChIKey
GXZSAQLJWLCLOX-UHFFFAOYSA-N
Compound name
4-[amino(carboxy)methyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

36
Patents

211.04807 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 142.4
[M+Na]+ 234.03729 148.8
[M-H]- 210.04079 142.0
[M+NH4]+ 229.08189 158.2
[M+K]+ 250.01123 147.1
[M+H-H2O]+ 194.04533 136.8
[M+HCOO]- 256.04627 161.2
[M+CH3COO]- 270.06192 182.5
[M+Na-2H]- 232.02274 143.1
[M]+ 211.04752 139.5
[M]- 211.04862 139.5
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