CID 101410601

1-(ethylthio)ethyl methyl disulfide

Structural Information

Molecular Formula

C₅H₁₂S₃

SMILES

CCSC(C)SSC

InChI

InChI=1S/C5H12S3/c1-4-7-5(2)8-6-3/h5H,4H2,1-3H3

InChIKey

XWQPCQCRQYDVNO-UHFFFAOYSA-N

Compound name

1-ethylsulfanyl-1-(methyldisulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.01012 Da
Monoisotopic Mass: 2.5
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]+	169.01740	129.6
[M+Na]+	190.99934	136.5
[M-H]-	167.00284	129.2
[M+NH4]+	186.04394	150.2
[M+K]+	206.97328	132.2
[M+H-H2O]+	151.00738	124.3
[M+HCOO]-	213.00832	134.7
[M+CH3COO]-	227.02397	180.3
[M+Na-2H]-	188.98479	128.2
[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.