CID 167723772

Methyl 2-methyl-4,5,6,7-tetrahydro-2h-indazole-7-carboxylate

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CN1C=C2CCCC(C2=N1)C(=O)OC
InChI
InChI=1S/C10H14N2O2/c1-12-6-7-4-3-5-8(9(7)11-12)10(13)14-2/h6,8H,3-5H2,1-2H3
InChIKey
NUWIJNWFAVUTEI-UHFFFAOYSA-N
Compound name
methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.5
[M+Na]+ 217.09475 150.7
[M-H]- 193.09825 144.3
[M+NH4]+ 212.13935 162.4
[M+K]+ 233.06869 149.0
[M+H-H2O]+ 177.10279 135.6
[M+HCOO]- 239.10373 161.5
[M+CH3COO]- 253.11938 183.4
[M+Na-2H]- 215.08020 146.1
[M]+ 194.10498 142.7
[M]- 194.10608 142.7
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.