CID 75073

2-mercaptoethyl ether

Structural Information

Molecular Formula

C₄H₁₀OS₂

SMILES

C(CS)OCCS

InChI

InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2

InChIKey

CNDCQWGRLNGNNO-UHFFFAOYSA-N

Compound name

2-(2-sulfanylethoxy)ethanethiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 8240
Patents: 138.0173 Da
Monoisotopic Mass: 0.7
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]+	139.02458	126.0
[M+Na]+	161.00652	135.9
[M+NH4]+	156.05112	135.5
[M+K]+	176.98046	126.4
[M-H]-	137.01002	126.7
[M+Na-2H]-	158.99197	128.9
[M]+	138.01675	128.5
[M]-	138.01785	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe