CID 11030057

1-(2-hydroxyethyl)pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

C1=CN(C(=O)NC1=O)CCO

InChI

InChI=1S/C6H8N2O3/c9-4-3-8-2-1-5(10)7-6(8)11/h1-2,9H,3-4H2,(H,7,10,11)

InChIKey

WPOIKUYNYCMJLT-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 156.0535 Da
Monoisotopic Mass: -1.5
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]+	157.06078	129.2
[M+Na]+	179.04272	141.6
[M+NH4]+	174.08732	135.2
[M+K]+	195.01666	137.1
[M-H]-	155.04622	128.0
[M+Na-2H]-	177.02817	134.4
[M]+	156.05295	130.3
[M]-	156.05405	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe