PubChemLite - Brij-35 (C58H118O24)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C58H118O24/c1-2-3-4-5-6-7-8-9-10-11-13-60-15-17-62-19-21-64-23-25-66-27-29-68-31-33-70-35-37-72-39-41-74-43-45-76-47-49-78-51-53-80-55-57-82-58-56-81-54-52-79-50-48-77-46-44-75-42-40-73-38-36-71-34-32-69-30-28-67-26-24-65-22-20-63-18-16-61-14-12-59/h59H,2-58H2,1H3

InChIKey

IEQAICDLOKRSRL-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-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]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]+	1199.8086	417.2
[M+Na]+	1221.7905	405.5
[M-H]-	1197.7940	400.7
[M+NH4]+	1216.8351	427.3
[M+K]+	1237.7645	412.7
[M+H-H2O]+	1181.7986	415.0
[M+HCOO]-	1243.7995	412.7
[M+CH3COO]-	1257.8152	333.4
[M+Na-2H]-	1219.7760	380.9
[M]+	1198.8008	434.4
[M]-	1198.8018	434.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1199.8086

417.2

[M+Na]+

1221.7905

405.5

[M-H]-

1197.7940

400.7

[M+NH4]+

1216.8351

427.3

[M+K]+

1237.7645

412.7

[M+H-H2O]+

1181.7986

415.0

[M+HCOO]-

1243.7995

412.7

[M+CH3COO]-

1257.8152

333.4

[M+Na-2H]-

1219.7760

380.9

[M]+

1198.8008

434.4

[M]-

1198.8018

434.4

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

Brij-35

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe