CID 61563374

1248073-89-3

Structural Information

Molecular Formula

C₆H₁₀O₅S

SMILES

C1CS(=O)(=O)CCC1(C(=O)O)O

InChI

InChI=1S/C6H10O5S/c7-5(8)6(9)1-3-12(10,11)4-2-6/h9H,1-4H2,(H,7,8)

InChIKey

FHSQSKFVZJCIAL-UHFFFAOYSA-N

Compound name

4-hydroxy-1,1-dioxothiane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.02489 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.03217	137.8
[M+Na]+	217.01411	145.7
[M+NH4]+	212.05871	146.8
[M+K]+	232.98805	137.7
[M-H]-	193.01761	136.2
[M+Na-2H]-	214.99956	142.9
[M]+	194.02434	138.8
[M]-	194.02544	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.