CID 97046710

3-bromo-5-methoxy-1h-pyrazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
COC1=CC2=C(NN=C2C=N1)Br
InChI
InChI=1S/C7H6BrN3O/c1-12-6-2-4-5(3-9-6)10-11-7(4)8/h2-3H,1H3,(H,10,11)
InChIKey
IVAIJSPCHCHDKO-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxy-2H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 143.2
[M+Na]+ 249.95864 147.5
[M+NH4]+ 245.00324 147.4
[M+K]+ 265.93258 148.9
[M-H]- 225.96214 142.0
[M+Na-2H]- 247.94409 146.1
[M]+ 226.96887 142.2
[M]- 226.96997 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.