CID 120556

1755-97-1

Structural Information

Molecular Formula

C₅H₁₀O₄S

SMILES

CC1(COS(=O)(=O)OC1)C

InChI

InChI=1S/C5H10O4S/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3

InChIKey

TVAKWODGKZEADD-UHFFFAOYSA-N

Compound name

5,5-dimethyl-1,3,2-dioxathiane 2,2-dioxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 166.02998 Da
Monoisotopic Mass: 0.7
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]+	167.03726	129.7
[M+Na]+	189.01920	140.5
[M+NH4]+	184.06380	140.4
[M+K]+	204.99314	131.5
[M-H]-	165.02270	132.9
[M+Na-2H]-	187.00465	136.2
[M]+	166.02943	132.9
[M]-	166.03053	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe