CID 481582

1-[(4s,6r)-6-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-4-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12N2O5
SMILES
C1C2[C@H](O[C@@]1(CO2)N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C10H12N2O5/c13-4-7-6-3-10(17-7,5-16-6)12-2-1-8(14)11-9(12)15/h1-2,6-7,13H,3-5H2,(H,11,14,15)/t6?,7-,10+/m1/s1
InChIKey
VGZQCDCRVMKSNZ-XUQLKEEQSA-N
Compound name
1-[(1S,3R)-3-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07462 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08190 145.8
[M+Na]+ 263.06384 155.7
[M-H]- 239.06734 148.9
[M+NH4]+ 258.10844 163.9
[M+K]+ 279.03778 154.7
[M+H-H2O]+ 223.07188 140.9
[M+HCOO]- 285.07282 162.2
[M+CH3COO]- 299.08847 158.5
[M+Na-2H]- 261.04929 151.4
[M]+ 240.07407 147.7
[M]- 240.07517 147.7
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.