CID 59763244

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

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=NC2=C(C=C1)NN=C2
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-3-2-5-7(10-6)4-9-11-5/h2-4H,1H3,(H,9,11)
InChIKey
RDBBFJAPMNVENH-UHFFFAOYSA-N
Compound name
methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

177.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 134.0
[M+Na]+ 200.043048 144.8
[M-H]- 176.046554 134.1
[M+NH4]+ 195.087653 152.4
[M+K]+ 216.016988 141.9
[M+H-H2O]+ 160.051090 126.6
[M+HCOO]- 222.052031 155.2
[M+CH3COO]- 236.067681 175.7
[M+Na-2H]- 198.028496 141.9
[M]+ 177.05328142 136.1
[M]- 177.05437858 136.1
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