CID 117912020

Ethyl 5,5-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCOC(=O)C1=NNC2=C1CC(CC2)(C)C
InChI
InChI=1S/C12H18N2O2/c1-4-16-11(15)10-8-7-12(2,3)6-5-9(8)13-14-10/h4-7H2,1-3H3,(H,13,14)
InChIKey
KOEQZIHBLSZFCA-UHFFFAOYSA-N
Compound name
ethyl 5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

222.13683 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 152.0
[M+Na]+ 245.12605 162.1
[M+NH4]+ 240.17065 160.5
[M+K]+ 261.09999 156.7
[M-H]- 221.12955 151.5
[M+Na-2H]- 243.11150 155.9
[M]+ 222.13628 153.2
[M]- 222.13738 153.2
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