CID 57561759

856257-28-8

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)C1CCC2=C(C1)C(=NN2)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-6(2)7-3-4-9-8(5-7)10(11(14)15)13-12-9/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
BOKPNZAWVOVNEK-UHFFFAOYSA-N
Compound name
5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.12119 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.7
[M+Na]+ 231.11041 156.9
[M+NH4]+ 226.15501 154.4
[M+K]+ 247.08435 154.6
[M-H]- 207.11391 146.5
[M+Na-2H]- 229.09586 149.3
[M]+ 208.12064 148.2
[M]- 208.12174 148.2
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