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

29
Patents

200.99016 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 135.9
[M+Na]+ 223.979378 147.4
[M-H]- 199.982884 136.6
[M+NH4]+ 219.023983 156.3
[M+K]+ 239.953318 135.5
[M+H-H2O]+ 183.987420 135.6
[M+HCOO]- 245.988361 150.6
[M+CH3COO]- 260.004011 149.4
[M+Na-2H]- 221.964826 143.4
[M]+ 200.98961142 148.8
[M]- 200.99070858 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