CID 454134

.b.-dioxolaneu

Structural Information

Molecular Formula
C8H10N2O5
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C8H10N2O5/c11-3-7-14-4-6(15-7)10-2-1-5(12)9-8(10)13/h1-2,6-7,11H,3-4H2,(H,9,12,13)/t6-,7-/m1/s1
InChIKey
MYQDAUKUBLHXLX-RNFRBKRXSA-N
Compound name
1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

50
Patents

214.05898 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06626 141.1
[M+Na]+ 237.04820 150.3
[M-H]- 213.05170 144.4
[M+NH4]+ 232.09280 154.8
[M+K]+ 253.02214 149.6
[M+H-H2O]+ 197.05624 134.1
[M+HCOO]- 259.05718 159.1
[M+CH3COO]- 273.07283 178.1
[M+Na-2H]- 235.03365 146.0
[M]+ 214.05843 141.5
[M]- 214.05953 141.5
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.