CID 455044

461668-65-5

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
C1[C@@H](S[C@@H](O1)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C8H10N2O4S/c11-3-7-14-4-6(15-7)10-2-1-5(12)9-8(10)13/h1-2,6-7,11H,3-4H2,(H,9,12,13)/t6-,7-/m1/s1
InChIKey
NPGSCJYWEXRACX-RNFRBKRXSA-N
Compound name
1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03613 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 145.5
[M+Na]+ 253.025348 155.2
[M-H]- 229.028854 148.5
[M+NH4]+ 248.069953 160.7
[M+K]+ 268.999288 152.2
[M+H-H2O]+ 213.033390 139.2
[M+HCOO]- 275.034331 159.6
[M+CH3COO]- 289.049981 179.2
[M+Na-2H]- 251.010796 146.8
[M]+ 230.03558142 146.2
[M]- 230.03667858 146.2
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.