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: 48
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	130.9
[M+Na]+	173.06068	138.1
[M-H]-	149.06418	131.3
[M+NH4]+	168.10528	152.9
[M+K]+	189.03462	137.8
[M+H-H2O]+	133.06872	125.9
[M+HCOO]-	195.06966	149.7
[M+CH3COO]-	209.08531	175.1
[M+Na-2H]-	171.04613	134.4
[M]+	150.07091	137.2
[M]-	150.07201	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe