CID 15788080

3,5-diamino-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=C(C=C(C(=C1C(=O)O)O)N)N
InChI
InChI=1S/C7H8N2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,8-9H2,(H,11,12)
InChIKey
HQURVGSRQBOZEX-UHFFFAOYSA-N
Compound name
3,5-diamino-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

168.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.6
[M+Na]+ 191.042718 140.9
[M-H]- 167.046224 133.7
[M+NH4]+ 186.087323 150.9
[M+K]+ 207.016658 138.5
[M+H-H2O]+ 151.050760 127.1
[M+HCOO]- 213.051701 155.3
[M+CH3COO]- 227.067351 179.1
[M+Na-2H]- 189.028166 135.7
[M]+ 168.05295142 128.5
[M]- 168.05404858 128.5
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