PubChemLite - 17598-96-8 (C26H54O14)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2

InChIKey

AKWFJQNBHYVIPY-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]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]+	591.35868	256.9
[M+Na]+	613.34062	254.3
[M-H]-	589.34412	245.4
[M+NH4]+	608.38522	257.8
[M+K]+	629.31456	250.3
[M+H-H2O]+	573.34866	256.0
[M+HCOO]-	635.34960	265.6
[M+CH3COO]-	649.36525	247.4
[M+Na-2H]-	611.32607	236.9
[M]+	590.35085	257.3
[M]-	590.35195	257.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

591.35868

256.9

[M+Na]+

613.34062

254.3

[M-H]-

589.34412

245.4

[M+NH4]+

608.38522

257.8

[M+K]+

629.31456

250.3

[M+H-H2O]+

573.34866

256.0

[M+HCOO]-

635.34960

265.6

[M+CH3COO]-

649.36525

247.4

[M+Na-2H]-

611.32607

236.9

[M]+

590.35085

257.3

[M]-

590.35195

257.3

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

17598-96-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe