CID 137965996

3-bromo-7-methoxy-1-methyl-1h-pyrazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C8H8BrN3O
SMILES
CN1C2=C(C=CN=C2OC)C(=N1)Br
InChI
InChI=1S/C8H8BrN3O/c1-12-6-5(7(9)11-12)3-4-10-8(6)13-2/h3-4H,1-2H3
InChIKey
PULXYDGRUILEHB-UHFFFAOYSA-N
Compound name
3-bromo-7-methoxy-1-methylpyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.98508 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99236 139.9
[M+Na]+ 263.97430 155.8
[M-H]- 239.97780 144.6
[M+NH4]+ 259.01890 160.9
[M+K]+ 279.94824 145.1
[M+H-H2O]+ 223.98234 139.3
[M+HCOO]- 285.98328 160.9
[M+CH3COO]- 299.99893 156.1
[M+Na-2H]- 261.95975 149.0
[M]+ 240.98453 163.0
[M]- 240.98563 163.0
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.