CID 14704626

Methyl 1-(methylsulfinyl)propyl disulfide

Structural Information

Molecular Formula

C₅H₁₂OS₃

SMILES

CCC(SSC)S(=O)C

InChI

InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3

InChIKey

BBBAHSPHKVIDRN-UHFFFAOYSA-N

Compound name

1-(methyldisulfanyl)-1-methylsulfinylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 184.00504 Da
Monoisotopic Mass: 1.0
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]+	185.01232	136.1
[M+Na]+	206.99426	144.0
[M+NH4]+	202.03886	144.8
[M+K]+	222.96820	134.4
[M-H]-	182.99776	136.2
[M+Na-2H]-	204.97971	136.8
[M]+	184.00449	138.5
[M]-	184.00559	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe