CID 101410602

Ethyl (ethylthio)methyl disulfide

Structural Information

Molecular Formula

C₅H₁₂S₃

SMILES

CCSCSSCC

InChI

InChI=1S/C5H12S3/c1-3-6-5-8-7-4-2/h3-5H2,1-2H3

InChIKey

YGYNDKHXDUVYFE-UHFFFAOYSA-N

Compound name

(ethyldisulfanyl)methylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.01012 Da
Monoisotopic Mass: 2.4
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]+	169.01740	129.1
[M+Na]+	190.99934	136.4
[M-H]-	167.00284	128.7
[M+NH4]+	186.04394	149.8
[M+K]+	206.97328	131.7
[M+H-H2O]+	151.00738	123.8
[M+HCOO]-	213.00832	135.3
[M+CH3COO]-	227.02397	179.6
[M+Na-2H]-	188.98479	128.6
[M]+	168.00957	131.6
[M]-	168.01067	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.