CID 74787789

3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1CCN2C(=NN=C2Br)C1
InChI
InChI=1S/C6H8BrN3/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H2
InChIKey
XDINJRVXGNVXRV-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.99016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 139.7
[M+Na]+ 223.97938 142.4
[M+NH4]+ 219.02398 144.7
[M+K]+ 239.95332 143.6
[M-H]- 199.98288 138.9
[M+Na-2H]- 221.96483 141.6
[M]+ 200.98961 138.5
[M]- 200.99071 138.5
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