PubChemLite - 3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol, 29-(2,4-bis(1,1-dimethylethyl)phenoxy)- (C34H62O11)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C)(C)C

InChI

InChI=1S/C34H62O11/c1-33(2,3)30-7-8-32(31(29-30)34(4,5)6)45-28-27-44-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35/h7-8,29,35H,9-28H2,1-6H3

InChIKey

TZOZGEFFYPNSAA-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4-ditert-butylphenoxy)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]+	647.43648	245.3
[M+Na]+	669.41842	246.3
[M-H]-	645.42192	237.2
[M+NH4]+	664.46302	250.4
[M+K]+	685.39236	245.3
[M+H-H2O]+	629.42646	242.9
[M+HCOO]-	691.42740	261.4
[M+CH3COO]-	705.44305	265.1
[M+Na-2H]-	667.40387	228.2
[M]+	646.42865	249.8
[M]-	646.42975	249.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

647.43648

245.3

[M+Na]+

669.41842

246.3

[M-H]-

645.42192

237.2

[M+NH4]+

664.46302

250.4

[M+K]+

685.39236

245.3

[M+H-H2O]+

629.42646

242.9

[M+HCOO]-

691.42740

261.4

[M+CH3COO]-

705.44305

265.1

[M+Na-2H]-

667.40387

228.2

[M]+

646.42865

249.8

[M]-

646.42975

249.8

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

3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol, 29-(2,4-bis(1,1-dimethylethyl)phenoxy)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe