CID 53485286

6-bromo-7-methyl-1h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C2C(=NC=C1Br)N=CN2
InChI
InChI=1S/C7H6BrN3/c1-4-5(8)2-9-7-6(4)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKey
XVEGORLAVIFJMX-UHFFFAOYSA-N
Compound name
6-bromo-7-methyl-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

210.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 133.5
[M+Na]+ 233.963718 148.8
[M-H]- 209.967224 136.9
[M+NH4]+ 229.008323 154.9
[M+K]+ 249.937658 137.0
[M+H-H2O]+ 193.971760 133.3
[M+HCOO]- 255.972701 153.4
[M+CH3COO]- 269.988351 149.4
[M+Na-2H]- 231.949166 143.4
[M]+ 210.97395142 153.0
[M]- 210.97504858 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe