CID 176472525

4-hydroxy-3-(hydroxyamino)benzoic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CC(=C(C=C1C(=O)O)NO)O
InChI
InChI=1S/C7H7NO4/c9-6-2-1-4(7(10)11)3-5(6)8-12/h1-3,8-9,12H,(H,10,11)
InChIKey
JAHXNTMBZXQOAA-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(hydroxyamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 130.9
[M+Na]+ 192.026718 138.6
[M-H]- 168.030224 131.2
[M+NH4]+ 187.071323 149.0
[M+K]+ 208.000658 136.5
[M+H-H2O]+ 152.034760 125.7
[M+HCOO]- 214.035701 152.6
[M+CH3COO]- 228.051351 173.4
[M+Na-2H]- 190.012166 136.3
[M]+ 169.03695142 128.8
[M]- 169.03804858 128.8
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

No patent data available for this compound.