CID 465301

Dioxolan-u deriv.

Structural Information

Molecular Formula
C9H12N2O6
SMILES
C1=CN(C(=O)NC1=O)C2O[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C9H12N2O6/c12-3-5-6(4-13)17-9(16-5)11-2-1-7(14)10-8(11)15/h1-2,5-6,9,12-13H,3-4H2,(H,10,14,15)/t5-,6-/m1/s1
InChIKey
PATOCDHLMUYWGD-PHDIDXHHSA-N
Compound name
1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dioxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.06953 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07681 149.1
[M+Na]+ 267.05875 158.1
[M-H]- 243.06225 151.3
[M+NH4]+ 262.10335 161.0
[M+K]+ 283.03269 156.9
[M+H-H2O]+ 227.06679 142.2
[M+HCOO]- 289.06773 165.4
[M+CH3COO]- 303.08338 182.6
[M+Na-2H]- 265.04420 152.5
[M]+ 244.06898 149.8
[M]- 244.07008 149.8
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.