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: 9599
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	135.8
[M+Na]+	205.03274	142.6
[M-H]-	181.03624	135.8
[M+NH4]+	200.07734	156.4
[M+K]+	221.00668	140.6
[M+H-H2O]+	165.04078	130.3
[M+HCOO]-	227.04172	148.6
[M+CH3COO]-	241.05737	180.1
[M+Na-2H]-	203.01819	136.7
[M]+	182.04297	142.4
[M]-	182.04407	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe