PubChemLite - 68214-68-6 (C36H66O11)

Structural Information

Molecular Formula

SMILES

CCCCCC1=CC(=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CCCCC

InChI

InChI=1S/C36H66O11/c1-3-5-7-9-34-11-12-36(35(33-34)10-8-6-4-2)47-32-31-46-30-29-45-28-27-44-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37/h11-12,33,37H,3-10,13-32H2,1-2H3

InChIKey

IUGUYAKPEVLCSE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4-dipentylphenoxy)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]+	675.46778	261.7
[M+Na]+	697.44972	262.6
[M-H]-	673.45322	247.4
[M+NH4]+	692.49432	263.6
[M+K]+	713.42366	259.7
[M+H-H2O]+	657.45776	262.5
[M+HCOO]-	719.45870	275.0
[M+CH3COO]-	733.47435	270.1
[M+Na-2H]-	695.43517	242.4
[M]+	674.45995	262.7
[M]-	674.46105	262.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

675.46778

261.7

[M+Na]+

697.44972

262.6

[M-H]-

673.45322

247.4

[M+NH4]+

692.49432

263.6

[M+K]+

713.42366

259.7

[M+H-H2O]+

657.45776

262.5

[M+HCOO]-

719.45870

275.0

[M+CH3COO]-

733.47435

270.1

[M+Na-2H]-

695.43517

242.4

[M]+

674.45995

262.7

[M]-

674.46105

262.7

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

68214-68-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe