CID 460392

Dtxsid60866083

Structural Information

Molecular Formula

SMILES

CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C32H58O10/c1-2-3-4-5-6-7-8-31-9-11-32(12-10-31)42-30-29-41-28-27-40-26-25-39-24-23-38-22-21-37-20-19-36-18-17-35-16-15-34-14-13-33/h9-12,33H,2-8,13-30H2,1H3

InChIKey

LFDLTLMEBDARLN-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 274
Patents: 602.403 Da
Monoisotopic Mass: 4.1
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]+	603.41028	242.1
[M+Na]+	625.39222	244.4
[M-H]-	601.39572	228.3
[M+NH4]+	620.43682	243.1
[M+K]+	641.36616	239.6
[M+H-H2O]+	585.40026	243.5
[M+HCOO]-	647.40120	257.0
[M+CH3COO]-	661.41685	256.3
[M+Na-2H]-	623.37767	225.2
[M]+	602.40245	242.9
[M]-	602.40355	242.9

Literature stripe

Patent stripe