CID 232754

6326-53-0

Structural Information

Molecular Formula
C14H12N2O6
SMILES
C1=C(C(=CC(=C1O)N)C(=O)O)C2=CC(=C(C=C2C(=O)O)N)O
InChI
InChI=1S/C14H12N2O6/c15-9-1-7(13(19)20)5(3-11(9)17)6-4-12(18)10(16)2-8(6)14(21)22/h1-4,17-18H,15-16H2,(H,19,20)(H,21,22)
InChIKey
WOHMDLCTSDBBPM-UHFFFAOYSA-N
Compound name
5-amino-2-(4-amino-2-carboxy-5-hydroxyphenyl)-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.06955 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07683 166.4
[M+Na]+ 327.05877 173.9
[M-H]- 303.06227 168.3
[M+NH4]+ 322.10337 177.6
[M+K]+ 343.03271 170.6
[M+H-H2O]+ 287.06681 159.3
[M+HCOO]- 349.06775 184.7
[M+CH3COO]- 363.08340 204.0
[M+Na-2H]- 325.04422 164.6
[M]+ 304.06900 163.0
[M]- 304.07010 163.0
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

No patent data available for this compound.