CID 15956684

1-[(4r)-2,2-bis(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2COC(O2)(CO)CO
InChI
InChI=1S/C10H14N2O6/c1-6-2-12(9(16)11-8(6)15)7-3-17-10(4-13,5-14)18-7/h2,7,13-14H,3-5H2,1H3,(H,11,15,16)/t7-/m1/s1
InChIKey
CSLHHXDGOBOJRY-SSDOTTSWSA-N
Compound name
1-[(4R)-2,2-bis(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08517 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.092446 151.8
[M+Na]+ 281.074388 161.4
[M-H]- 257.077894 154.2
[M+NH4]+ 276.118993 165.3
[M+K]+ 297.048328 160.4
[M+H-H2O]+ 241.082430 145.7
[M+HCOO]- 303.083371 167.8
[M+CH3COO]- 317.099021 185.1
[M+Na-2H]- 279.059836 156.3
[M]+ 258.08462142 153.5
[M]- 258.08571858 153.5
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.