PubChemLite - Einecs 261-187-4 (C34H62O11)

Structural Information

Molecular Formula

SMILES

CC(C)CCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C34H62O11/c1-32(2)8-4-3-5-9-33-10-6-7-11-34(33)45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-38-17-16-37-15-14-36-13-12-35/h6-7,10-11,32,35H,3-5,8-9,12-31H2,1-2H3

InChIKey

BYQFTVWRCSHPFM-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(6-methylheptyl)phenoxy]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	253.3
[M+Na]+	669.41842	255.2
[M-H]-	645.42192	240.8
[M+NH4]+	664.46302	256.5
[M+K]+	685.39236	251.6
[M+H-H2O]+	629.42646	255.0
[M+HCOO]-	691.42740	264.8
[M+CH3COO]-	705.44305	264.2
[M+Na-2H]-	667.40387	235.5
[M]+	646.42865	254.5
[M]-	646.42975	254.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

647.43648

253.3

[M+Na]+

669.41842

255.2

[M-H]-

645.42192

240.8

[M+NH4]+

664.46302

256.5

[M+K]+

685.39236

251.6

[M+H-H2O]+

629.42646

255.0

[M+HCOO]-

691.42740

264.8

[M+CH3COO]-

705.44305

264.2

[M+Na-2H]-

667.40387

235.5

[M]+

646.42865

254.5

[M]-

646.42975

254.5

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

Einecs 261-187-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe