CID 13129570

2-(2-ethoxyethoxy)ethane-1-thiol

Structural Information

Molecular Formula

C₆H₁₄O₂S

SMILES

CCOCCOCCS

InChI

InChI=1S/C6H14O2S/c1-2-7-3-4-8-5-6-9/h9H,2-6H2,1H3

InChIKey

LIAMZAFGRCLLJR-UHFFFAOYSA-N

Compound name

2-(2-ethoxyethoxy)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 150.07146 Da
Monoisotopic Mass: 0.6
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	131.6
[M+Na]+	173.06068	141.6
[M+NH4]+	168.10528	140.2
[M+K]+	189.03462	133.7
[M-H]-	149.06418	131.5
[M+Na-2H]-	171.04613	134.8
[M]+	150.07091	133.3
[M]-	150.07201	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe