CID 105454051

3-bromo-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine dihydrochloride

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1CNCC2=C1NN=C2Br
InChI
InChI=1S/C6H8BrN3/c7-6-4-3-8-2-1-5(4)9-10-6/h8H,1-3H2,(H,9,10)
InChIKey
BYKNJEDJLDYQPM-UHFFFAOYSA-N
Compound name
3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

200.99016 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 135.9
[M+Na]+ 223.97938 147.4
[M-H]- 199.98288 136.6
[M+NH4]+ 219.02398 156.3
[M+K]+ 239.95332 135.5
[M+H-H2O]+ 183.98742 135.6
[M+HCOO]- 245.98836 150.6
[M+CH3COO]- 260.00401 149.4
[M+Na-2H]- 221.96483 143.4
[M]+ 200.98961 148.8
[M]- 200.99071 148.8
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