CID 457389

1-[(2r,4s)-4-(hydroxymethyl)-4-methyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C[C@]1(C[C@@H](OC1)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C10H14N2O4/c1-10(5-13)4-8(16-6-10)12-3-2-7(14)11-9(12)15/h2-3,8,13H,4-6H2,1H3,(H,11,14,15)/t8-,10+/m1/s1
InChIKey
AADBPSUKDJYLBJ-SCZZXKLOSA-N
Compound name
1-[(2R,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.09535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 145.5
[M+Na]+ 249.084568 155.0
[M-H]- 225.088074 148.4
[M+NH4]+ 244.129173 162.3
[M+K]+ 265.058508 152.8
[M+H-H2O]+ 209.092610 139.1
[M+HCOO]- 271.093551 163.8
[M+CH3COO]- 285.109201 181.0
[M+Na-2H]- 247.070016 150.2
[M]+ 226.09480142 145.0
[M]- 226.09589858 145.0
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

No patent data available for this compound.