CID 36394

2-acetyl-2-methyl-1,3-dithiolane

Structural Information

Molecular Formula

C₆H₁₀OS₂

SMILES

CC(=O)C1(SCCS1)C

InChI

InChI=1S/C6H10OS2/c1-5(7)6(2)8-3-4-9-6/h3-4H2,1-2H3

InChIKey

CZFIROOFEBLGGD-UHFFFAOYSA-N

Compound name

1-(2-methyl-1,3-dithiolan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.0173 Da
Monoisotopic Mass: 1.4
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]+	163.02458	133.6
[M+Na]+	185.00652	142.2
[M+NH4]+	180.05112	144.7
[M+K]+	200.98046	133.2
[M-H]-	161.01002	135.1
[M+Na-2H]-	182.99197	138.1
[M]+	162.01675	136.2
[M]-	162.01785	136.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.