CID 3040117

51717-62-5

Structural Information

Molecular Formula

C₈H₁₂OS₂

SMILES

C1CC(C(=O)C1)C2SCCS2

InChI

InChI=1S/C8H12OS2/c9-7-3-1-2-6(7)8-10-4-5-11-8/h6,8H,1-5H2

InChIKey

HOFFZVOTWVWHRK-UHFFFAOYSA-N

Compound name

2-(1,3-dithiolan-2-yl)cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.03296 Da
Monoisotopic Mass: 1.7
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]+	189.04024	140.2
[M+Na]+	211.02218	148.3
[M+NH4]+	206.06678	150.5
[M+K]+	226.99612	141.9
[M-H]-	187.02568	143.5
[M+Na-2H]-	209.00763	143.2
[M]+	188.03241	143.0
[M]-	188.03351	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.