CID 5310884

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

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C(C=C2C(=N1)N=CN2)Br
InChI
InChI=1S/C7H6BrN3/c1-4-5(8)2-6-7(11-4)10-3-9-6/h2-3H,1H3,(H,9,10,11)
InChIKey
ZZFKQUTYXXPQBS-UHFFFAOYSA-N
Compound name
6-bromo-5-methyl-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
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]+ 211.98178 133.5
[M+Na]+ 233.96372 148.8
[M-H]- 209.96722 136.9
[M+NH4]+ 229.00832 154.9
[M+K]+ 249.93766 137.0
[M+H-H2O]+ 193.97176 133.3
[M+HCOO]- 255.97270 153.4
[M+CH3COO]- 269.98835 149.4
[M+Na-2H]- 231.94917 143.4
[M]+ 210.97395 153.0
[M]- 210.97505 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