CID 648852

4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CCC2=C(C1)C(=NN2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKey
LWXNHFZBFJMHGU-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

128
Patents

166.07423 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe