CID 584883

3h-imidazo[4,5-b]pyridin-4-ium-4-olate

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CN(C2=NC=NC2=C1)O
InChI
InChI=1S/C6H5N3O/c10-9-3-1-2-5-6(9)8-4-7-5/h1-4,10H
InChIKey
REMGQFLUKHNBEN-UHFFFAOYSA-N
Compound name
4-hydroxyimidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

135.04326 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 123.4
[M+Na]+ 158.03248 134.2
[M-H]- 134.03598 123.3
[M+NH4]+ 153.07708 143.6
[M+K]+ 174.00642 131.6
[M+H-H2O]+ 118.04052 116.3
[M+HCOO]- 180.04146 144.5
[M+CH3COO]- 194.05711 137.4
[M+Na-2H]- 156.01793 132.6
[M]+ 135.04271 123.4
[M]- 135.04381 123.4
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