CID 132353833

Methyl 1h,4h,5h,6h,7h-pyrazolo[4,3-b]pyridine-5-carboxylate

Structural Information

Molecular Formula
C8H11N3O2
SMILES
COC(=O)C1CCC2=C(N1)C=NN2
InChI
InChI=1S/C8H11N3O2/c1-13-8(12)6-3-2-5-7(10-6)4-9-11-5/h4,6,10H,2-3H2,1H3,(H,9,11)
InChIKey
DPTPSRNGFPJPMS-UHFFFAOYSA-N
Compound name
methyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 139.4
[M+Na]+ 204.07435 146.6
[M-H]- 180.07785 136.9
[M+NH4]+ 199.11895 156.6
[M+K]+ 220.04829 143.6
[M+H-H2O]+ 164.08239 132.0
[M+HCOO]- 226.08333 154.7
[M+CH3COO]- 240.09898 174.1
[M+Na-2H]- 202.05980 143.6
[M]+ 181.08458 135.3
[M]- 181.08568 135.3
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.