CID 13814632

2-(thian-4-yloxy)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

C1CSCCC1OCCO

InChI

InChI=1S/C7H14O2S/c8-3-4-9-7-1-5-10-6-2-7/h7-8H,1-6H2

InChIKey

TVABKCGUYLAMEX-UHFFFAOYSA-N

Compound name

2-(thian-4-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.07146 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]+	163.078736	133.6
[M+Na]+	185.060678	138.4
[M-H]-	161.064184	135.1
[M+NH4]+	180.105283	153.9
[M+K]+	201.034618	136.8
[M+H-H2O]+	145.068720	128.3
[M+HCOO]-	207.069661	148.2
[M+CH3COO]-	221.085311	171.7
[M+Na-2H]-	183.046126	136.2
[M]+	162.07091142	131.8
[M]-	162.07200858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe