CID 11694100

Chembl206108

Structural Information

Molecular Formula

C₈H₁₂N₂O₄

SMILES

CC1=CC(=O)NC(=O)N1COCCO

InChI

InChI=1S/C8H12N2O4/c1-6-4-7(12)9-8(13)10(6)5-14-3-2-11/h4,11H,2-3,5H2,1H3,(H,9,12,13)

InChIKey

CDQRMSCBMQNHCL-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxymethyl)-6-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 200.07971 Da
Monoisotopic Mass: -1.2
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

No patent data available for this compound.