CID 24728201

3-hydroxy-1h-indazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)NN2
InChI
InChI=1S/C8H6N2O3/c11-7-5-3-4(8(12)13)1-2-6(5)9-10-7/h1-3H,(H,12,13)(H2,9,10,11)
InChIKey
JAPGBCYHMJSRNG-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroindazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

178.03784 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.045116 132.6
[M+Na]+ 201.027058 143.4
[M-H]- 177.030564 131.7
[M+NH4]+ 196.071663 151.0
[M+K]+ 217.000998 138.9
[M+H-H2O]+ 161.035100 126.7
[M+HCOO]- 223.036041 152.4
[M+CH3COO]- 237.051691 171.1
[M+Na-2H]- 199.012506 138.9
[M]+ 178.03729142 131.7
[M]- 178.03838858 131.7
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