CID 105479371

1780277-66-8

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)N1C(=C2CCCCC2=N1)C(=O)O
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)14-10(11(15)16)8-6-4-5-7-9(8)13-14/h4-7H2,1-3H3,(H,15,16)
InChIKey
LPVHSBCNCHTTMA-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 153.0
[M+Na]+ 245.12605 160.2
[M-H]- 221.12955 153.3
[M+NH4]+ 240.17065 171.1
[M+K]+ 261.09999 157.7
[M+H-H2O]+ 205.13409 146.8
[M+HCOO]- 267.13503 168.1
[M+CH3COO]- 281.15068 187.3
[M+Na-2H]- 243.11150 155.9
[M]+ 222.13628 151.5
[M]- 222.13738 151.5
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

No patent data available for this compound.