CID 22308600

6-bromo-3h-imidazo[4,5-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=C(C=NC2=C1NC(=N2)C(=O)O)Br
InChI
InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-6(10-4)7(12)13/h1-2H,(H,12,13)(H,9,10,11)
InChIKey
CKRCPGOGLKGUJZ-UHFFFAOYSA-N
Compound name
6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.94868 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.955956 138.7
[M+Na]+ 263.937898 153.0
[M-H]- 239.941404 140.8
[M+NH4]+ 258.982503 157.8
[M+K]+ 279.911838 141.2
[M+H-H2O]+ 223.945940 138.4
[M+HCOO]- 285.946881 156.6
[M+CH3COO]- 299.962531 153.4
[M+Na-2H]- 261.923346 147.0
[M]+ 240.94813142 157.7
[M]- 240.94922858 157.7
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.