CID 131752726

1-(methylthio)-1-hexanethiol

Structural Information

Molecular Formula

C₇H₁₆S₂

SMILES

CCCCCC(S)SC

InChI

InChI=1S/C7H16S2/c1-3-4-5-6-7(8)9-2/h7-8H,3-6H2,1-2H3

InChIKey

RVLJKGCMYBJOLZ-UHFFFAOYSA-N

Compound name

1-methylsulfanylhexane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.06934 Da
Monoisotopic Mass: 3.7
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]+	165.07662	135.4
[M+Na]+	187.05856	144.9
[M+NH4]+	182.10316	145.0
[M+K]+	203.03250	135.0
[M-H]-	163.06206	136.3
[M+Na-2H]-	185.04401	137.8
[M]+	164.06879	137.9
[M]-	164.06989	137.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.