CID 83965344

6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CC1=CC(=CN2C1=NC(=N2)C)Br
InChI
InChI=1S/C8H8BrN3/c1-5-3-7(9)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3
InChIKey
ORMHPSPKPTUVNW-UHFFFAOYSA-N
Compound name
6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

224.99016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99744 142.9
[M+Na]+ 247.97938 148.3
[M+NH4]+ 243.02398 147.9
[M+K]+ 263.95332 149.1
[M-H]- 223.98288 142.7
[M+Na-2H]- 245.96483 146.5
[M]+ 224.98961 142.5
[M]- 224.99071 142.5
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