CID 4248454

1h-indazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(C=C1C(=O)O)C=NN2
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey
MAVGBUDLHOOROM-UHFFFAOYSA-N
Compound name
1H-indazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

771
Patents

162.04292 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 130.4
[M+Na]+ 185.03214 143.0
[M+NH4]+ 180.07674 137.9
[M+K]+ 201.00608 139.8
[M-H]- 161.03564 130.1
[M+Na-2H]- 183.01759 136.2
[M]+ 162.04237 131.9
[M]- 162.04347 131.9
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