CID 167738537

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

Structural Information

Molecular Formula
C8H6BrN3O2
SMILES
COC(=O)C1=NC2=NNC(=C2C=C1)Br
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)5-3-2-4-6(9)11-12-7(4)10-5/h2-3H,1H3,(H,10,11,12)
InChIKey
HVYJTSQRLJSKJH-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.96434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.97162 148.6
[M+Na]+ 277.95356 152.1
[M+NH4]+ 272.99816 151.9
[M+K]+ 293.92750 154.5
[M-H]- 253.95706 146.7
[M+Na-2H]- 275.93901 150.6
[M]+ 254.96379 147.2
[M]- 254.96489 147.2
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.