CID 10197799

2-ethoxy-6-hydroxy-4(3h)-pyrimidinone

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CCOC1=NC(=CC(=O)N1)O

InChI

InChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)

InChIKey

XAFQKMFFPFLHAC-UHFFFAOYSA-N

Compound name

2-ethoxy-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 156.0535 Da
Monoisotopic Mass: -0.1
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]+	157.060776	128.7
[M+Na]+	179.042718	138.6
[M-H]-	155.046224	127.7
[M+NH4]+	174.087323	146.0
[M+K]+	195.016658	136.2
[M+H-H2O]+	139.050760	122.3
[M+HCOO]-	201.051701	149.4
[M+CH3COO]-	215.067351	170.1
[M+Na-2H]-	177.028166	136.1
[M]+	156.05295142	129.1
[M]-	156.05404858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe