CID 6624328

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

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCOC(=O)C1=NNC2=C1CCCC2
InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h2-6H2,1H3,(H,11,12)
InChIKey
HESKTUHERVMQMI-UHFFFAOYSA-N
Compound name
ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

84
Patents

194.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.3
[M+Na]+ 217.09475 150.1
[M-H]- 193.09825 143.2
[M+NH4]+ 212.13935 162.1
[M+K]+ 233.06869 147.6
[M+H-H2O]+ 177.10279 136.3
[M+HCOO]- 239.10373 160.8
[M+CH3COO]- 253.11938 179.7
[M+Na-2H]- 215.08020 147.1
[M]+ 194.10498 141.2
[M]- 194.10608 141.2
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