CID 118437122

Schembl17164364

Structural Information

Molecular Formula

C₁₀H₂₀OS

SMILES

CC(C)C1CCC(S1)(C)CCO

InChI

InChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3

InChIKey

XFOGVCZMBNJHTB-UHFFFAOYSA-N

Compound name

2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 34
Patents: 188.12349 Da
Monoisotopic Mass: 2.7
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]+	189.13077	143.8
[M+Na]+	211.11271	149.9
[M-H]-	187.11621	145.8
[M+NH4]+	206.15731	167.4
[M+K]+	227.08665	148.0
[M+H-H2O]+	171.12075	140.0
[M+HCOO]-	233.12169	158.2
[M+CH3COO]-	247.13734	180.0
[M+Na-2H]-	209.09816	143.1
[M]+	188.12294	143.9
[M]-	188.12404	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe