CID 104242

Ppg-10 oleyl ether

Structural Information

Molecular Formula

C₂₁H₄₂O₂

SMILES

CCCCCCCCC=CCCCCCCCCOCCCO

InChI

InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,22H,2-8,11-21H2,1H3

InChIKey

RHEFZZHALQVVFD-UHFFFAOYSA-N

Compound name

3-octadec-9-enoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 322
Patents: 326.31848 Da
Monoisotopic Mass: 7.7
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]+	327.32576	191.7
[M+Na]+	349.30770	192.6
[M-H]-	325.31120	187.7
[M+NH4]+	344.35230	205.4
[M+K]+	365.28164	187.9
[M+H-H2O]+	309.31574	184.5
[M+HCOO]-	371.31668	209.7
[M+CH3COO]-	385.33233	212.0
[M+Na-2H]-	347.29315	190.3
[M]+	326.31793	198.9
[M]-	326.31903	198.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe