CID 59619824

6-bromo-3-methyl-3h-[1,2,3]triazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
CN1C2=C(C=C(C=N2)Br)N=N1
InChI
InChI=1S/C6H5BrN4/c1-11-6-5(9-10-11)2-4(7)3-8-6/h2-3H,1H3
InChIKey
MHWRXBLIXOUVOJ-UHFFFAOYSA-N
Compound name
6-bromo-3-methyltriazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

211.96976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.977036 131.3
[M+Na]+ 234.958978 147.5
[M-H]- 210.962484 134.7
[M+NH4]+ 230.003583 152.0
[M+K]+ 250.932918 136.7
[M+H-H2O]+ 194.967020 130.5
[M+HCOO]- 256.967961 151.7
[M+CH3COO]- 270.983611 147.5
[M+Na-2H]- 232.944426 142.2
[M]+ 211.96921142 152.6
[M]- 211.97030858 152.6
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