CID 520544

31805-84-2

Structural Information

Molecular Formula

C₆H₁₄OS₂

SMILES

COC(CSC)CSC

InChI

InChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3

InChIKey

MOISORXUYSHXRU-UHFFFAOYSA-N

Compound name

2-methoxy-1,3-bis(methylsulfanyl)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 166.04861 Da
Monoisotopic Mass: 1.4
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]+	167.055886	132.7
[M+Na]+	189.037828	139.4
[M-H]-	165.041334	132.9
[M+NH4]+	184.082433	153.9
[M+K]+	205.011768	137.4
[M+H-H2O]+	149.045870	127.5
[M+HCOO]-	211.046811	144.1
[M+CH3COO]-	225.062461	179.0
[M+Na-2H]-	187.023276	132.5
[M]+	166.04806142	137.4
[M]-	166.04915858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe