CID 21452

Dtxsid20860047

Structural Information

Molecular Formula

C₂₀H₄₀O₂

SMILES

CCCCCCCCC=CCCCCCCCCOCCO

InChI

InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3

InChIKey

KWVPFECTOKLOBL-UHFFFAOYSA-N

Compound name

2-octadec-9-enoxyethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 84
References: 19651
Patents: 312.30283 Da
Monoisotopic Mass: 7.3
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]+	313.310106	187.4
[M+Na]+	335.292048	188.7
[M-H]-	311.295554	183.6
[M+NH4]+	330.336653	201.6
[M+K]+	351.265988	184.2
[M+H-H2O]+	295.300090	180.3
[M+HCOO]-	357.301031	205.7
[M+CH3COO]-	371.316681	209.0
[M+Na-2H]-	333.277496	186.5
[M]+	312.30228142	194.2
[M]-	312.30337858	194.2

Literature stripe

literature stripe

Patent stripe

patents stripe