CID 234594

91160-07-5

Structural Information

Molecular Formula

C₆H₅N₃O₂

SMILES

C1=C2C(=C(NC1=O)O)N=CN2

InChI

InChI=1S/C6H5N3O2/c10-4-1-3-5(6(11)9-4)8-2-7-3/h1-2H,(H,7,8)(H2,9,10,11)

InChIKey

PGHLOKLJCKBIMX-UHFFFAOYSA-N

Compound name

4-hydroxy-1,5-dihydroimidazo[4,5-c]pyridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 151.03818 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	152.04546	126.3
[M+Na]+	174.02740	138.3
[M-H]-	150.03090	124.2
[M+NH4]+	169.07200	144.7
[M+K]+	190.00134	133.5
[M+H-H2O]+	134.03544	119.9
[M+HCOO]-	196.03638	146.1
[M+CH3COO]-	210.05203	139.6
[M+Na-2H]-	172.01285	134.6
[M]+	151.03763	125.1
[M]-	151.03873	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe