CID 66077

Vinyl stearate

Structural Information

Molecular Formula

C₂₀H₃₈O₂

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC=C

InChI

InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3

InChIKey

AFSIMBWBBOJPJG-UHFFFAOYSA-N

Compound name

ethenyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 40439
Patents: 310.28717 Da
Monoisotopic Mass: 9.0
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]+	311.29445	184.6
[M+Na]+	333.27639	192.2
[M+NH4]+	328.32099	189.9
[M+K]+	349.25033	183.6
[M-H]-	309.27989	183.0
[M+Na-2H]-	331.26184	184.6
[M]+	310.28662	184.9
[M]-	310.28772	184.9

Literature stripe

literature stripe

Patent stripe

patents stripe