CID 129947423

Methyl 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

Structural Information

Molecular Formula
C8H6BrN3O2
SMILES
COC(=O)C1=NN2C=CC=C(C2=N1)Br
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-10-7-5(9)3-2-4-12(7)11-6/h2-4H,1H3
InChIKey
LGEUEXGUVIIJAH-UHFFFAOYSA-N
Compound name
methyl 8-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.96434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.97162 147.6
[M+Na]+ 277.95356 151.6
[M+NH4]+ 272.99816 151.2
[M+K]+ 293.92750 153.7
[M-H]- 253.95706 146.1
[M+Na-2H]- 275.93901 150.1
[M]+ 254.96379 146.4
[M]- 254.96489 146.4
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

No patent data available for this compound.