CID 465314

Dioxolan-t deriv.

Structural Information

Molecular Formula
C10H14N2O6
SMILES
CC1=CN(C(=O)NC1=O)C2O[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C10H14N2O6/c1-5-2-12(9(16)11-8(5)15)10-17-6(3-13)7(4-14)18-10/h2,6-7,10,13-14H,3-4H2,1H3,(H,11,15,16)/t6-,7-/m1/s1
InChIKey
CYICCYGMEKYWCO-RNFRBKRXSA-N
Compound name
1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dioxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.08517 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.092446 154.0
[M+Na]+ 281.074388 163.5
[M-H]- 257.077894 156.5
[M+NH4]+ 276.118993 165.7
[M+K]+ 297.048328 162.1
[M+H-H2O]+ 241.082430 147.2
[M+HCOO]- 303.083371 170.0
[M+CH3COO]- 317.099021 187.0
[M+Na-2H]- 279.059836 156.2
[M]+ 258.08462142 155.6
[M]- 258.08571858 155.6
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.