PubChemLite - 9004-95-9 (C56H114O21)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3

InChIKey

NLMKTBGFQGKQEV-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)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]+	1123.7926	393.1
[M+Na]+	1145.7745	383.1
[M-H]-	1121.7780	375.4
[M+NH4]+	1140.8191	401.3
[M+K]+	1161.7485	390.1
[M+H-H2O]+	1105.7826	391.0
[M+HCOO]-	1167.7835	390.3
[M+CH3COO]-	1181.7992	328.1
[M+Na-2H]-	1143.7600	358.9
[M]+	1122.7848	405.8
[M]-	1122.7858	405.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1123.7926

393.1

[M+Na]+

1145.7745

383.1

[M-H]-

1121.7780

375.4

[M+NH4]+

1140.8191

401.3

[M+K]+

1161.7485

390.1

[M+H-H2O]+

1105.7826

391.0

[M+HCOO]-

1167.7835

390.3

[M+CH3COO]-

1181.7992

328.1

[M+Na-2H]-

1143.7600

358.9

[M]+

1122.7848

405.8

[M]-

1122.7858

405.8

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

9004-95-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe