CID 33589

2-isopropyl-1,3-dithiolane

Structural Information

Molecular Formula

C₆H₁₂S₂

SMILES

CC(C)C1SCCS1

InChI

InChI=1S/C6H12S2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3

InChIKey

CMOLCULWXQDIMM-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1,3-dithiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 148.03804 Da
Monoisotopic Mass: 2.8
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]+	149.04532	129.6
[M+Na]+	171.02726	138.6
[M+NH4]+	166.07186	140.2
[M+K]+	187.00120	130.8
[M-H]-	147.03076	132.1
[M+Na-2H]-	169.01271	132.9
[M]+	148.03749	132.5
[M]-	148.03859	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe