CID 15633678

2-(1,1-dioxo-1lambda6-thiolan-2-yl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₄S

SMILES

C1CC(S(=O)(=O)C1)CC(=O)O

InChI

InChI=1S/C6H10O4S/c7-6(8)4-5-2-1-3-11(5,9)10/h5H,1-4H2,(H,7,8)

InChIKey

QAAMMQJXNSQLHE-UHFFFAOYSA-N

Compound name

2-(1,1-dioxothiolan-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 178.02998 Da
Monoisotopic Mass: -0.3
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]+	179.03726	137.2
[M+Na]+	201.01920	144.9
[M+NH4]+	196.06380	145.4
[M+K]+	216.99314	139.4
[M-H]-	177.02270	135.9
[M+Na-2H]-	199.00465	140.2
[M]+	178.02943	138.0
[M]-	178.03053	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe