CID 57998446

2(3h)-furanone, 5-(butylthio)dihydro-

Structural Information

Molecular Formula

C₈H₁₄O₂S

SMILES

CCCCSC1CCC(=O)O1

InChI

InChI=1S/C8H14O2S/c1-2-3-6-11-8-5-4-7(9)10-8/h8H,2-6H2,1H3

InChIKey

UCCKBHBGUHMFDV-UHFFFAOYSA-N

Compound name

5-butylsulfanyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.07146 Da
Monoisotopic Mass: 2.2
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]+	175.07874	138.5
[M+Na]+	197.06068	148.1
[M+NH4]+	192.10528	147.2
[M+K]+	213.03462	142.2
[M-H]-	173.06418	140.9
[M+Na-2H]-	195.04613	141.0
[M]+	174.07091	140.8
[M]-	174.07201	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe