CID 102922

2,2'-thiodipropanol

Structural Information

Molecular Formula

C₆H₁₄O₂S

SMILES

CC(CO)SC(C)CO

InChI

InChI=1S/C6H14O2S/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3

InChIKey

DUFCZJRMDGJQRR-UHFFFAOYSA-N

Compound name

2-(1-hydroxypropan-2-ylsulfanyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 150.07146 Da
Monoisotopic Mass: 0.4
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]+	151.07874	132.7
[M+Na]+	173.06068	140.8
[M+NH4]+	168.10528	140.2
[M+K]+	189.03462	135.1
[M-H]-	149.06418	131.0
[M+Na-2H]-	171.04613	134.0
[M]+	150.07091	133.5
[M]-	150.07201	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe