CID 1270001

14176-47-7

Structural Information

Molecular Formula
C4H8O4S
SMILES
C1[C@@H]([C@H](CS1(=O)=O)O)O
InChI
InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKey
LDVDYVUZEKIBDP-IMJSIDKUSA-N
Compound name
(3R,4R)-1,1-dioxothiolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.01433 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02161 128.5
[M+Na]+ 175.00355 136.7
[M+NH4]+ 170.04815 137.1
[M+K]+ 190.97749 131.6
[M-H]- 151.00705 127.3
[M+Na-2H]- 172.98900 131.7
[M]+ 152.01378 129.5
[M]- 152.01488 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.