CID 474215

Brl 489

Structural Information

Molecular Formula

C₆H₁₄OS₄

SMILES

C(C(CSCC(CS)S)S)O

InChI

InChI=1S/C6H14OS4/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2

InChIKey

ZDNUYTYXQCCFLX-UHFFFAOYSA-N

Compound name

3-[2,3-bis(sulfanyl)propylsulfanyl]-2-sulfanylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.99275 Da
Monoisotopic Mass: 1.2
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]+	231.00003	144.8
[M+Na]+	252.98197	149.3
[M-H]-	228.98547	141.1
[M+NH4]+	248.02657	160.7
[M+K]+	268.95591	141.8
[M+H-H2O]+	212.99001	138.6
[M+HCOO]-	274.99095	140.8
[M+CH3COO]-	289.00660	189.6
[M+Na-2H]-	250.96742	141.7
[M]+	229.99220	143.5
[M]-	229.99330	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.