CID 452948

Sddu

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C8H10N2O4S/c11-3-7-14-6(4-15-7)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
BNVOMPQTQUUYHU-RQJHMYQMSA-N
Compound name
1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

230.03613 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 145.5
[M+Na]+ 253.02535 155.2
[M-H]- 229.02885 148.5
[M+NH4]+ 248.06995 160.7
[M+K]+ 268.99929 152.2
[M+H-H2O]+ 213.03339 139.2
[M+HCOO]- 275.03433 159.6
[M+CH3COO]- 289.04998 179.2
[M+Na-2H]- 251.01080 146.8
[M]+ 230.03558 146.2
[M]- 230.03668 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.