CID 5278449

9-octadecen-4-olide

Structural Information

Molecular Formula

C₁₈H₃₂O₂

SMILES

CCCCCCCC/C=C/CCCCC1CCC(=O)O1

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h9-10,17H,2-8,11-16H2,1H3/b10-9+

InChIKey

MFJQEKNPFKHQHP-MDZDMXLPSA-N

Compound name

5-[(E)-tetradec-5-enyl]oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 280.24023 Da
Monoisotopic Mass: 6.1
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]+	281.24751	175.3
[M+Na]+	303.22945	178.4
[M-H]-	279.23295	177.3
[M+NH4]+	298.27405	191.9
[M+K]+	319.20339	175.4
[M+H-H2O]+	263.23749	168.7
[M+HCOO]-	325.23843	194.5
[M+CH3COO]-	339.25408	202.1
[M+Na-2H]-	301.21490	174.7
[M]+	280.23968	178.7
[M]-	280.24078	178.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.