CID 116769550

1603109-80-3

Structural Information

Molecular Formula

C₆H₁₀O₅S

SMILES

COC1(CCS(=O)(=O)C1)C(=O)O

InChI

InChI=1S/C6H10O5S/c1-11-6(5(7)8)2-3-12(9,10)4-6/h2-4H2,1H3,(H,7,8)

InChIKey

UYGUSLSSJSXRSL-UHFFFAOYSA-N

Compound name

3-methoxy-1,1-dioxothiolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.02489 Da
Monoisotopic Mass: -1.0
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]+	195.032166	134.8
[M+Na]+	217.014108	143.6
[M-H]-	193.017614	137.5
[M+NH4]+	212.058713	159.5
[M+K]+	232.988048	142.9
[M+H-H2O]+	177.022150	132.5
[M+HCOO]-	239.023091	151.8
[M+CH3COO]-	253.038741	173.5
[M+Na-2H]-	214.999556	138.6
[M]+	194.02434142	137.8
[M]-	194.02543858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.