CID 284518

Tetrahydrothiophene-2-carboxylic acid 1,1-dioxide

Structural Information

Molecular Formula
C5H8O4S
SMILES
C1CC(S(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C5H8O4S/c6-5(7)4-2-1-3-10(4,8)9/h4H,1-3H2,(H,6,7)
InChIKey
TTZCAAIAOJHFIM-UHFFFAOYSA-N
Compound name
1,1-dioxothiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

164.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02161 133.0
[M+Na]+ 187.00355 140.9
[M+NH4]+ 182.04815 141.4
[M+K]+ 202.97749 135.7
[M-H]- 163.00705 131.7
[M+Na-2H]- 184.98900 136.2
[M]+ 164.01378 133.9
[M]- 164.01488 133.9
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

patents stripe