CID 106756

5-hexyldihydro-4-methylfuran-2(3h)-one

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCCCCC1C(CC(=O)O1)C

InChI

InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3

InChIKey

XNRLAEXLQFIKEY-UHFFFAOYSA-N

Compound name

5-hexyl-4-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 289
Patents: 184.14633 Da
Monoisotopic Mass: 3.6
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]+	185.15361	143.3
[M+Na]+	207.13555	149.9
[M-H]-	183.13905	147.0
[M+NH4]+	202.18015	164.1
[M+K]+	223.10949	149.4
[M+H-H2O]+	167.14359	138.3
[M+HCOO]-	229.14453	164.7
[M+CH3COO]-	243.16018	183.6
[M+Na-2H]-	205.12100	146.0
[M]+	184.14578	145.3
[M]-	184.14688	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe