CID 78168

5-hydroxymethyluracil

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

C1=C(C(=O)NC(=O)N1)CO

InChI

InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

InChIKey

JDBGXEHEIRGOBU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 193
References: 8004
Patents: 142.03784 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]+	143.045116	124.4
[M+Na]+	165.027058	134.6
[M-H]-	141.030564	122.2
[M+NH4]+	160.071663	141.5
[M+K]+	181.000998	130.9
[M+H-H2O]+	125.035100	118.5
[M+HCOO]-	187.036041	144.1
[M+CH3COO]-	201.051691	163.9
[M+Na-2H]-	163.012506	131.7
[M]+	142.03729142	121.9
[M]-	142.03838858	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe