CID 78409344

18-octa-9-decenolactone

Structural Information

Molecular Formula

C₁₈H₃₂O₂

SMILES

C1CCCCOC(=O)CCCCCCCC=CCCC1

InChI

InChI=1S/C18H32O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-2H,3-17H2

InChIKey

GODWWTDBDJRXIU-UHFFFAOYSA-N

Compound name

1-oxacyclononadec-10-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 280.24023 Da
Monoisotopic Mass: 6.6
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]+	281.247506	167.9
[M+Na]+	303.229448	166.8
[M-H]-	279.232954	169.3
[M+NH4]+	298.274053	178.1
[M+K]+	319.203388	166.6
[M+H-H2O]+	263.237490	164.5
[M+HCOO]-	325.238431	180.4
[M+CH3COO]-	339.254081	187.5
[M+Na-2H]-	301.214896	167.6
[M]+	280.23968142	154.0
[M]-	280.24077858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe