CID 50986510

2-{6-bromo-1h-imidazo[4,5-b]pyridin-2-yl}propan-2-ol

Structural Information

Molecular Formula
C9H10BrN3O
SMILES
CC(C)(C1=NC2=C(N1)C=C(C=N2)Br)O
InChI
InChI=1S/C9H10BrN3O/c1-9(2,14)8-12-6-3-5(10)4-11-7(6)13-8/h3-4,14H,1-2H3,(H,11,12,13)
InChIKey
SRESEZQBIAQALA-UHFFFAOYSA-N
Compound name
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.00072 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.007996 148.9
[M+Na]+ 277.989938 162.9
[M-H]- 253.993444 150.9
[M+NH4]+ 273.034543 167.9
[M+K]+ 293.963878 150.7
[M+H-H2O]+ 237.997980 148.9
[M+HCOO]- 299.998921 165.2
[M+CH3COO]- 314.014571 186.5
[M+Na-2H]- 275.975386 157.7
[M]+ 255.00017142 168.0
[M]- 255.00126858 168.0
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

No patent data available for this compound.