CID 1270001

Trans-tetrahydrothiophene-3,4-diol 1,1-dioxide

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

4
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 125.2
[M+Na]+ 175.00355 134.7
[M-H]- 151.00705 126.9
[M+NH4]+ 170.04815 149.4
[M+K]+ 190.97749 132.8
[M+H-H2O]+ 135.01159 122.5
[M+HCOO]- 197.01253 141.9
[M+CH3COO]- 211.02818 164.2
[M+Na-2H]- 172.98900 128.0
[M]+ 152.01378 125.3
[M]- 152.01488 125.3
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

patents stripe