CID 14960368

6-hydroxy-5-methoxypyrimidin-4(1h)-one, disodium salt

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

COC1=C(N=CNC1=O)O

InChI

InChI=1S/C5H6N2O3/c1-10-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)

InChIKey

JSEPQQUEVRZWST-UHFFFAOYSA-N

Compound name

4-hydroxy-5-methoxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 142.03784 Da
Monoisotopic Mass: -0.7
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]+	143.045116	124.1
[M+Na]+	165.027058	134.5
[M-H]-	141.030564	123.3
[M+NH4]+	160.071663	142.0
[M+K]+	181.000998	132.3
[M+H-H2O]+	125.035100	117.9
[M+HCOO]-	187.036041	145.2
[M+CH3COO]-	201.051691	167.1
[M+Na-2H]-	163.012506	132.0
[M]+	142.03729142	124.2
[M]-	142.03838858	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe