CID 74787789

1378861-55-2

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 134.1
[M+Na]+ 223.97938 146.5
[M-H]- 199.98288 137.4
[M+NH4]+ 219.02398 155.9
[M+K]+ 239.95332 136.5
[M+H-H2O]+ 183.98742 133.4
[M+HCOO]- 245.98836 151.6
[M+CH3COO]- 260.00401 149.0
[M+Na-2H]- 221.96483 142.6
[M]+ 200.98961 150.5
[M]- 200.99071 150.5
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