CID 135890259

4-hydroxy-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C(=C1)O)C(=NN2)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-5-3-1-2-4-6(5)7(8(12)13)10-9-4/h1-3,11H,(H,9,10)(H,12,13)
InChIKey
XWSXOIGNPIXBHE-UHFFFAOYSA-N
Compound name
4-hydroxy-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03784 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.045116 133.1
[M+Na]+ 201.027058 143.7
[M-H]- 177.030564 132.2
[M+NH4]+ 196.071663 151.6
[M+K]+ 217.000998 139.8
[M+H-H2O]+ 161.035100 127.2
[M+HCOO]- 223.036041 152.8
[M+CH3COO]- 237.051691 171.8
[M+Na-2H]- 199.012506 139.5
[M]+ 178.03729142 132.9
[M]- 178.03838858 132.9
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.