CID 2802503

86453-15-8

Structural Information

Molecular Formula

C₆H₁₀O₄S₂

SMILES

C1CS(=O)(=O)CC1SCC(=O)O

InChI

InChI=1S/C6H10O4S2/c7-6(8)3-11-5-1-2-12(9,10)4-5/h5H,1-4H2,(H,7,8)

InChIKey

AJTOTGKRRDVGAK-UHFFFAOYSA-N

Compound name

2-(1,1-dioxothiolan-3-yl)sulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 210.00204 Da
Monoisotopic Mass: 0.0
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]+	211.00932	144.2
[M+Na]+	232.99126	151.0
[M+NH4]+	228.03586	152.5
[M+K]+	248.96520	143.8
[M-H]-	208.99476	143.0
[M+Na-2H]-	230.97671	146.3
[M]+	210.00149	145.5
[M]-	210.00259	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.