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]+ 259.09245 151.8
[M+Na]+ 281.07439 161.4
[M-H]- 257.07789 154.2
[M+NH4]+ 276.11899 165.3
[M+K]+ 297.04833 160.4
[M+H-H2O]+ 241.08243 145.7
[M+HCOO]- 303.08337 167.8
[M+CH3COO]- 317.09902 185.1
[M+Na-2H]- 279.05984 156.3
[M]+ 258.08462 153.5
[M]- 258.08572 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.