PubChemLite - Dtxsid5051361 (C35H64O11)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C35H64O11/c1-2-3-4-5-6-7-8-9-34-10-12-35(13-11-34)46-33-32-45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-38-17-16-37-15-14-36/h10-13,36H,2-9,14-33H2,1H3

InChIKey

CXIISRLRZRAKST-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	661.45218	256.1
[M+Na]+	683.43412	257.3
[M-H]-	659.43762	241.7
[M+NH4]+	678.47872	257.8
[M+K]+	699.40806	253.6
[M+H-H2O]+	643.44216	257.2
[M+HCOO]-	705.44310	269.7
[M+CH3COO]-	719.45875	266.1
[M+Na-2H]-	681.41957	237.4
[M]+	660.44435	257.1
[M]-	660.44545	257.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

661.45218

256.1

[M+Na]+

683.43412

257.3

[M-H]-

659.43762

241.7

[M+NH4]+

678.47872

257.8

[M+K]+

699.40806

253.6

[M+H-H2O]+

643.44216

257.2

[M+HCOO]-

705.44310

269.7

[M+CH3COO]-

719.45875

266.1

[M+Na-2H]-

681.41957

237.4

[M]+

660.44435

257.1

[M]-

660.44545

257.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dtxsid5051361

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe