CID 455043

Cis-oxathiolan-t

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](S2)CO
InChI
InChI=1S/C9H12N2O4S/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7-/m1/s1
InChIKey
GGTPCAVZUYRRNL-RNFRBKRXSA-N
Compound name
1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05177 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 150.0
[M+Na]+ 267.04099 160.1
[M-H]- 243.04449 153.2
[M+NH4]+ 262.08559 165.0
[M+K]+ 283.01493 156.9
[M+H-H2O]+ 227.04903 143.9
[M+HCOO]- 289.04997 163.7
[M+CH3COO]- 303.06562 183.5
[M+Na-2H]- 265.02644 150.1
[M]+ 244.05122 151.4
[M]- 244.05232 151.4
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.