CID 4166253

711-66-0

Structural Information

Molecular Formula

C₈H₁₂N₂O₄

SMILES

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

InChI

InChI=1S/C8H12N2O4/c11-5-3-9-2-1-7(13)10(4-6-12)8(9)14/h1-2,11-12H,3-6H2

InChIKey

AKEISPWDGKTJAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.07971 Da
Monoisotopic Mass: -2.0
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]+	201.08699	139.3
[M+Na]+	223.06893	149.4
[M-H]-	199.07243	138.4
[M+NH4]+	218.11353	155.0
[M+K]+	239.04287	146.5
[M+H-H2O]+	183.07697	132.6
[M+HCOO]-	245.07791	159.8
[M+CH3COO]-	259.09356	178.8
[M+Na-2H]-	221.05438	144.9
[M]+	200.07916	141.7
[M]-	200.08026	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe