CID 11680111

Chembl203345

Structural Information

Molecular Formula

C₈H₁₂N₂O₅

SMILES

C1=C(C(=O)NC(=O)N1COCCO)CO

InChI

InChI=1S/C8H12N2O5/c11-1-2-15-5-10-3-6(4-12)7(13)9-8(10)14/h3,11-12H,1-2,4-5H2,(H,9,13,14)

InChIKey

MILMKFIKXFVBMF-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.07462 Da
Monoisotopic Mass: -1.9
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]+	217.08190	142.6
[M+Na]+	239.06384	152.0
[M-H]-	215.06734	140.2
[M+NH4]+	234.10844	156.8
[M+K]+	255.03778	148.9
[M+H-H2O]+	199.07188	135.8
[M+HCOO]-	261.07282	161.7
[M+CH3COO]-	275.08847	178.8
[M+Na-2H]-	237.04929	147.7
[M]+	216.07407	144.5
[M]-	216.07517	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.