CID 36394

33266-07-8

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: 4
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]+	163.024576	131.9
[M+Na]+	185.006518	139.6
[M-H]-	161.010024	135.3
[M+NH4]+	180.051123	156.8
[M+K]+	200.980458	137.8
[M+H-H2O]+	145.014560	128.2
[M+HCOO]-	207.015501	143.4
[M+CH3COO]-	221.031151	173.7
[M+Na-2H]-	182.991966	132.1
[M]+	162.01675142	132.5
[M]-	162.01784858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe