CID 57415889

5-bromo-1-methyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CN1C2=NC=C(C=C2C=N1)Br
InChI
InChI=1S/C7H6BrN3/c1-11-7-5(3-10-11)2-6(8)4-9-7/h2-4H,1H3
InChIKey
MZTKBGMGLWHOMN-UHFFFAOYSA-N
Compound name
5-bromo-1-methylpyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

210.9745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 132.6
[M+Na]+ 233.963718 148.3
[M-H]- 209.967224 137.2
[M+NH4]+ 229.008323 154.6
[M+K]+ 249.937658 137.4
[M+H-H2O]+ 193.971760 132.2
[M+HCOO]- 255.972701 153.9
[M+CH3COO]- 269.988351 149.1
[M+Na-2H]- 231.949166 143.0
[M]+ 210.97395142 153.8
[M]- 210.97504858 153.8
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