CID 78250

Indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC=C2C(=C1)C(=NN2)C(=O)O
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey
BHXVYTQDWMQVBI-UHFFFAOYSA-N
Compound name
1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

3266
Patents

162.04292 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 129.7
[M+Na]+ 185.032138 139.9
[M-H]- 161.035644 129.8
[M+NH4]+ 180.076743 149.3
[M+K]+ 201.006078 136.4
[M+H-H2O]+ 145.040180 123.4
[M+HCOO]- 207.041121 150.7
[M+CH3COO]- 221.056771 143.2
[M+Na-2H]- 183.017586 137.2
[M]+ 162.04237142 129.5
[M]- 162.04346858 129.5
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