CID 52911269

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

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=C2C=CC=NC2=NN1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h2-4H,1H3,(H,9,10,11)
InChIKey
KIHDGKDZYCCVBT-UHFFFAOYSA-N
Compound name
methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

177.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 134.0
[M+Na]+ 200.04305 144.8
[M-H]- 176.04655 134.1
[M+NH4]+ 195.08765 152.4
[M+K]+ 216.01699 141.9
[M+H-H2O]+ 160.05109 126.6
[M+HCOO]- 222.05203 155.2
[M+CH3COO]- 236.06768 175.7
[M+Na-2H]- 198.02850 141.9
[M]+ 177.05328 136.1
[M]- 177.05438 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

literature stripe

Patent stripe

patents stripe