CID 14411018

77597-08-1

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

C1CCOC(C1)OCCS

InChI

InChI=1S/C7H14O2S/c10-6-5-9-7-3-1-2-4-8-7/h7,10H,1-6H2

InChIKey

LXFILWUBAHXWGM-UHFFFAOYSA-N

Compound name

2-(oxan-2-yloxy)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 162.07146 Da
Monoisotopic Mass: 1.2
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]+	163.078736	132.7
[M+Na]+	185.060678	138.0
[M-H]-	161.064184	136.4
[M+NH4]+	180.105283	152.6
[M+K]+	201.034618	138.5
[M+H-H2O]+	145.068720	127.2
[M+HCOO]-	207.069661	148.1
[M+CH3COO]-	221.085311	174.2
[M+Na-2H]-	183.046126	136.7
[M]+	162.07091142	133.2
[M]-	162.07200858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe