CID 474203

3-(2-sulfanylpropylsulfanyl)propan-1-ol

Structural Information

Molecular Formula

C₆H₁₄OS₂

SMILES

CC(CSCCCO)S

InChI

InChI=1S/C6H14OS2/c1-6(8)5-9-4-2-3-7/h6-8H,2-5H2,1H3

InChIKey

GAGZLDDWDCHXLT-UHFFFAOYSA-N

Compound name

3-(2-sulfanylpropylsulfanyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.04861 Da
Monoisotopic Mass: 1.3
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]+	167.05589	132.9
[M+Na]+	189.03783	139.1
[M-H]-	165.04133	131.6
[M+NH4]+	184.08243	153.4
[M+K]+	205.01177	136.2
[M+H-H2O]+	149.04587	128.0
[M+HCOO]-	211.04681	142.8
[M+CH3COO]-	225.06246	176.3
[M+Na-2H]-	187.02328	132.3
[M]+	166.04806	135.7
[M]-	166.04916	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.