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

4
Annotation Hits: 10
References: 41947
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]+	311.294446	186.4
[M+Na]+	333.276388	188.2
[M-H]-	309.279894	184.2
[M+NH4]+	328.320993	201.3
[M+K]+	349.250328	184.5
[M+H-H2O]+	293.284430	179.3
[M+HCOO]-	355.285371	205.5
[M+CH3COO]-	369.301021	211.6
[M+Na-2H]-	331.261836	184.8
[M]+	310.28662142	193.8
[M]-	310.28771858	193.8

Literature stripe

literature stripe

Patent stripe

patents stripe