CID 64635249

1,1-diethoxy-2-methanesulfonylethane

Structural Information

Molecular Formula

C₇H₁₆O₄S

SMILES

CCOC(CS(=O)(=O)C)OCC

InChI

InChI=1S/C7H16O4S/c1-4-10-7(11-5-2)6-12(3,8)9/h7H,4-6H2,1-3H3

InChIKey

JYIFXWJJPGVAOD-UHFFFAOYSA-N

Compound name

1,1-diethoxy-2-methylsulfonylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 196.07693 Da
Monoisotopic Mass: 0.2
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]+	197.08421	143.4
[M+Na]+	219.06615	151.6
[M+NH4]+	214.11075	149.7
[M+K]+	235.04009	146.3
[M-H]-	195.06965	140.7
[M+Na-2H]-	217.05160	144.7
[M]+	196.07638	144.0
[M]-	196.07748	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe