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

192
References

7279
Patents

142.03784 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 125.3
[M+Na]+ 165.02706 137.3
[M+NH4]+ 160.07166 131.1
[M+K]+ 181.00100 133.3
[M-H]- 141.03056 123.5
[M+Na-2H]- 163.01251 130.1
[M]+ 142.03729 126.1
[M]- 142.03839 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe