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

8
Patents

200.99016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 134.1
[M+Na]+ 223.979378 146.5
[M-H]- 199.982884 137.4
[M+NH4]+ 219.023983 155.9
[M+K]+ 239.953318 136.5
[M+H-H2O]+ 183.987420 133.4
[M+HCOO]- 245.988361 151.6
[M+CH3COO]- 260.004011 149.0
[M+Na-2H]- 221.964826 142.6
[M]+ 200.98961142 150.5
[M]- 200.99070858 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