CID 3240332

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

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)O
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)7-4-5-9-8(6-7)10(11(15)16)14-13-9/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKey
SUXLFEALYPIVJT-UHFFFAOYSA-N
Compound name
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

113
Patents

222.13683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.5
[M+Na]+ 245.12605 160.6
[M+NH4]+ 240.17065 158.0
[M+K]+ 261.09999 158.6
[M-H]- 221.12955 149.9
[M+Na-2H]- 243.11150 153.3
[M]+ 222.13628 152.0
[M]- 222.13738 152.0
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