CID 10913938

20-eicosanolide

Structural Information

Molecular Formula

C₂₀H₃₈O₂

SMILES

C1CCCCCCCCCC(=O)OCCCCCCCCC1

InChI

InChI=1S/C20H38O2/c21-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22-20/h1-19H2

InChIKey

XNVIXRMFBUDCLP-UHFFFAOYSA-N

Compound name

oxacyclohenicosan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 310.28717 Da
Monoisotopic Mass: 8.5
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]+	311.294446	177.5
[M+Na]+	333.276388	174.1
[M-H]-	309.279894	178.6
[M+NH4]+	328.320993	186.1
[M+K]+	349.250328	173.8
[M+H-H2O]+	293.284430	174.0
[M+HCOO]-	355.285371	186.9
[M+CH3COO]-	369.301021	192.0
[M+Na-2H]-	331.261836	174.8
[M]+	310.28662142	160.5
[M]-	310.28771858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe