CID 78847

1-hydroxy-7h-purin-6-one

Structural Information

Molecular Formula

C₅H₄N₄O₂

SMILES

C1=NC2=C(N1)C(=O)N(C=N2)O

InChI

InChI=1S/C5H4N4O2/c10-5-3-4(7-1-6-3)8-2-9(5)11/h1-2,11H,(H,6,7)

InChIKey

QNJHODONDIDAEE-UHFFFAOYSA-N

Compound name

1-hydroxy-7H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 152.03343 Da
Monoisotopic Mass: -0.8
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]+	153.040706	126.2
[M+Na]+	175.022648	139.1
[M-H]-	151.026154	124.3
[M+NH4]+	170.067253	143.9
[M+K]+	190.996588	135.3
[M+H-H2O]+	135.030690	119.0
[M+HCOO]-	197.031631	146.5
[M+CH3COO]-	211.047281	139.9
[M+Na-2H]-	173.008096	135.4
[M]+	152.03288142	127.0
[M]-	152.03397858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe