CID 53399349

3-(hydroxymethyl)-1h-indazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC2=NNC(=C2C=C1C(=O)O)CO
InChI
InChI=1S/C9H8N2O3/c12-4-8-6-3-5(9(13)14)1-2-7(6)10-11-8/h1-3,12H,4H2,(H,10,11)(H,13,14)
InChIKey
TWSJKONXMZARGL-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-2H-indazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.7
[M+Na]+ 215.042718 147.8
[M-H]- 191.046224 136.7
[M+NH4]+ 210.087323 155.6
[M+K]+ 231.016658 143.8
[M+H-H2O]+ 175.050760 131.6
[M+HCOO]- 237.051701 157.1
[M+CH3COO]- 251.067351 174.8
[M+Na-2H]- 213.028166 143.5
[M]+ 192.05295142 137.8
[M]- 192.05404858 137.8
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.