CID 21452

39464-69-2

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: 10744
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]+	313.31011	185.7
[M+Na]+	335.29205	193.0
[M+NH4]+	330.33665	190.9
[M+K]+	351.26599	183.9
[M-H]-	311.29555	183.9
[M+Na-2H]-	333.27750	185.5
[M]+	312.30228	185.9
[M]-	312.30338	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe