CID 5255742

2-[(2-sulfanylethyl)sulfanyl]ethan-1-ol

Structural Information

Molecular Formula

C₄H₁₀OS₂

SMILES

C(CSCCS)O

InChI

InChI=1S/C4H10OS2/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey

BTEAFSPWXRCITQ-UHFFFAOYSA-N

Compound name

2-(2-sulfanylethylsulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 448
Patents: 138.0173 Da
Monoisotopic Mass: 0.3
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]+	139.024576	123.9
[M+Na]+	161.006518	131.3
[M-H]-	137.010024	122.9
[M+NH4]+	156.051123	145.6
[M+K]+	176.980458	128.4
[M+H-H2O]+	121.014560	119.3
[M+HCOO]-	183.015501	135.5
[M+CH3COO]-	197.031151	169.6
[M+Na-2H]-	158.991966	125.2
[M]+	138.01675142	126.6
[M]-	138.01784858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe