Ho-peg21-oh (C42H86O22)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C42H86O22/c43-1-3-45-5-7-47-9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-35-61-37-39-63-41-42-64-40-38-62-36-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-48-8-6-46-4-2-44/h43-44H,1-42H2

InChIKey

HZYUNBJZCPLWPR-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[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]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]+	943.568376	353.8
[M+Na]+	965.550318	344.3
[M-H]-	941.553824	341.2
[M+NH4]+	960.594923	360.1
[M+K]+	981.524258	345.8
[M+H-H2O]+	925.558360	351.6
[M+HCOO]-	987.559301	354.3
[M+CH3COO]-	1001.574951	298.3
[M+Na-2H]-	963.535766	323.2
[M]+	942.56055142	362.7
[M]-	942.56164858	362.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

943.568376

353.8

[M+Na]+

965.550318

344.3

[M-H]-

941.553824

341.2

[M+NH4]+

960.594923

360.1

[M+K]+

981.524258

345.8

[M+H-H2O]+

925.558360

351.6

[M+HCOO]-

987.559301

354.3

[M+CH3COO]-

1001.574951

298.3

[M+Na-2H]-

963.535766

323.2

[M]+

942.56055142

362.7

[M]-

942.56164858

362.7

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

Ho-peg21-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe