CID 13585

Octadecyl vinyl ether

Structural Information

Molecular Formula

C₂₀H₄₀O

SMILES

CCCCCCCCCCCCCCCCCCOC=C

InChI

InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3

InChIKey

QJJDJWUCRAPCOL-UHFFFAOYSA-N

Compound name

1-ethenoxyoctadecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 15038
Patents: 296.30792 Da
Monoisotopic Mass: 9.7
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]+	297.315196	183.9
[M+Na]+	319.297138	185.6
[M-H]-	295.300644	181.5
[M+NH4]+	314.341743	199.4
[M+K]+	335.271078	181.5
[M+H-H2O]+	279.305180	176.8
[M+HCOO]-	341.306121	203.4
[M+CH3COO]-	355.321771	210.6
[M+Na-2H]-	317.282586	183.5
[M]+	296.30737142	191.3
[M]-	296.30846858	191.3

Literature stripe

literature stripe

Patent stripe

patents stripe