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]+ 259.09245 154.0
[M+Na]+ 281.07439 163.5
[M-H]- 257.07789 156.5
[M+NH4]+ 276.11899 165.7
[M+K]+ 297.04833 162.1
[M+H-H2O]+ 241.08243 147.2
[M+HCOO]- 303.08337 170.0
[M+CH3COO]- 317.09902 187.0
[M+Na-2H]- 279.05984 156.2
[M]+ 258.08462 155.6
[M]- 258.08572 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.