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

24
Patents

211.96976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 131.3
[M+Na]+ 234.95898 147.5
[M-H]- 210.96248 134.7
[M+NH4]+ 230.00358 152.0
[M+K]+ 250.93292 136.7
[M+H-H2O]+ 194.96702 130.5
[M+HCOO]- 256.96796 151.7
[M+CH3COO]- 270.98361 147.5
[M+Na-2H]- 232.94443 142.2
[M]+ 211.96921 152.6
[M]- 211.97031 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