PubChemLite - 2315-66-4 (C34H62O11)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

IVKNZCBNXPYYKL-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)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	242.9
[M+Na]+	669.41842	243.9
[M-H]-	645.42192	234.2
[M+NH4]+	664.46302	247.7
[M+K]+	685.39236	242.6
[M+H-H2O]+	629.42646	240.7
[M+HCOO]-	691.42740	258.8
[M+CH3COO]-	705.44305	264.3
[M+Na-2H]-	667.40387	226.0
[M]+	646.42865	247.5
[M]-	646.42975	247.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

647.43648

242.9

[M+Na]+

669.41842

243.9

[M-H]-

645.42192

234.2

[M+NH4]+

664.46302

247.7

[M+K]+

685.39236

242.6

[M+H-H2O]+

629.42646

240.7

[M+HCOO]-

691.42740

258.8

[M+CH3COO]-

705.44305

264.3

[M+Na-2H]-

667.40387

226.0

[M]+

646.42865

247.5

[M]-

646.42975

247.5

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

2315-66-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe