CID 469763

1-[2-(hydroxymethyl)-1,3-dioxan-5-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C1C(COC(O1)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H12N2O5/c12-3-8-15-4-6(5-16-8)11-2-1-7(13)10-9(11)14/h1-2,6,8,12H,3-5H2,(H,10,13,14)
InChIKey
JHUVYNAEEHIXCD-UHFFFAOYSA-N
Compound name
1-[2-(hydroxymethyl)-1,3-dioxan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07462 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 147.3
[M+Na]+ 251.06384 155.3
[M-H]- 227.06734 150.1
[M+NH4]+ 246.10844 158.4
[M+K]+ 267.03778 154.4
[M+H-H2O]+ 211.07188 139.1
[M+HCOO]- 273.07282 162.8
[M+CH3COO]- 287.08847 181.7
[M+Na-2H]- 249.04929 153.2
[M]+ 228.07407 145.9
[M]- 228.07517 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.