CID 3078221

Brn 3541340

Structural Information

Molecular Formula

C₁₁H₂₀O₂S

SMILES

CCCCSC1(CCC(=O)O1)CCC

InChI

InChI=1S/C11H20O2S/c1-3-5-9-14-11(7-4-2)8-6-10(12)13-11/h3-9H2,1-2H3

InChIKey

FBPHPJSLOHKFCP-UHFFFAOYSA-N

Compound name

5-butylsulfanyl-5-propyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.11841 Da
Monoisotopic Mass: 3.3
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]+	217.12569	151.1
[M+Na]+	239.10763	160.1
[M+NH4]+	234.15223	160.7
[M+K]+	255.08157	151.9
[M-H]-	215.11113	153.3
[M+Na-2H]-	237.09308	154.6
[M]+	216.11786	153.5
[M]-	216.11896	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.