6812-36-8 (C32H66O17)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C32H66O17/c33-1-3-35-5-7-37-9-11-39-13-15-41-17-19-43-21-23-45-25-27-47-29-31-49-32-30-48-28-26-46-24-22-44-20-18-42-16-14-40-12-10-38-8-6-36-4-2-34/h33-34H,1-32H2

InChIKey

DHORSBRLGKJPFC-UHFFFAOYSA-N

Compound name

2-[2-[2-[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]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]+	723.437276	292.3
[M+Na]+	745.419218	287.1
[M-H]-	721.422724	280.4
[M+NH4]+	740.463823	295.2
[M+K]+	761.393158	285.2
[M+H-H2O]+	705.427260	291.0
[M+HCOO]-	767.428201	298.1
[M+CH3COO]-	781.443851	268.0
[M+Na-2H]-	743.404666	268.2
[M]+	722.42945142	294.9
[M]-	722.43054858	294.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

723.437276

292.3

[M+Na]+

745.419218

287.1

[M-H]-

721.422724

280.4

[M+NH4]+

740.463823

295.2

[M+K]+

761.393158

285.2

[M+H-H2O]+

705.427260

291.0

[M+HCOO]-

767.428201

298.1

[M+CH3COO]-

781.443851

268.0

[M+Na-2H]-

743.404666

268.2

[M]+

722.42945142

294.9

[M]-

722.43054858

294.9

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

6812-36-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe