CID 71607210

4,5,6,7-tetrahydro-1h-indazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC2=C(CC1C(=O)O)C=NN2
InChI
InChI=1S/C8H10N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKey
SQOPSWGOYYFIGA-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

166.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.7
[M+Na]+ 189.06345 144.5
[M+NH4]+ 184.10805 142.0
[M+K]+ 205.03739 141.9
[M-H]- 165.06695 133.8
[M+Na-2H]- 187.04890 137.7
[M]+ 166.07368 135.4
[M]- 166.07478 135.4
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