CID 66920538

3-amino-4,5-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=C(C=C(C(=C1N)O)O)C(=O)O
InChI
InChI=1S/C7H7NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,8H2,(H,11,12)
InChIKey
RBQLYASRVXAFRI-UHFFFAOYSA-N
Compound name
3-amino-4,5-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 131.3
[M+Na]+ 192.026718 140.0
[M-H]- 168.030224 131.6
[M+NH4]+ 187.071323 149.5
[M+K]+ 208.000658 137.6
[M+H-H2O]+ 152.034760 126.4
[M+HCOO]- 214.035701 152.4
[M+CH3COO]- 228.051351 174.2
[M+Na-2H]- 190.012166 134.9
[M]+ 169.03695142 128.7
[M]- 169.03804858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe