CID 105454051

2460757-28-0

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 141.4
[M+Na]+ 223.97938 143.1
[M+NH4]+ 219.02398 145.7
[M+K]+ 239.95332 144.8
[M-H]- 199.98288 139.7
[M+Na-2H]- 221.96483 142.2
[M]+ 200.98961 139.7
[M]- 200.99071 139.7
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