CID 84733

14970-87-7

Structural Information

Molecular Formula

C₆H₁₄O₂S₂

SMILES

C(COCCS)OCCS

InChI

InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2

InChIKey

HCZMHWVFVZAHCR-UHFFFAOYSA-N

Compound name

2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 9369
Patents: 182.04352 Da
Monoisotopic Mass: 0.5
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]+	183.05080	137.5
[M+Na]+	205.03274	146.6
[M+NH4]+	200.07734	146.2
[M+K]+	221.00668	137.1
[M-H]-	181.03624	137.6
[M+Na-2H]-	203.01819	139.5
[M]+	182.04297	139.6
[M]-	182.04407	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe