CID 109209

5-butyl-5-ethyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCCCC1(CCC(=O)O1)CC

InChI

InChI=1S/C10H18O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h3-8H2,1-2H3

InChIKey

KPODJTXDIIOWSY-UHFFFAOYSA-N

Compound name

5-butyl-5-ethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 48
Patents: 170.13068 Da
Monoisotopic Mass: 2.8
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]+	171.137956	137.4
[M+Na]+	193.119898	144.4
[M-H]-	169.123404	141.3
[M+NH4]+	188.164503	160.5
[M+K]+	209.093838	144.4
[M+H-H2O]+	153.127940	133.3
[M+HCOO]-	215.128881	159.2
[M+CH3COO]-	229.144531	179.0
[M+Na-2H]-	191.105346	142.6
[M]+	170.13013142	139.0
[M]-	170.13122858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe