PubChemLite - Brij(r) 76 (C58H118O21)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C58H118O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-60-21-23-62-25-27-64-29-31-66-33-35-68-37-39-70-41-43-72-45-47-74-49-51-76-53-55-78-57-58-79-56-54-77-52-50-75-48-46-73-44-42-71-40-38-69-36-34-67-32-30-65-28-26-63-24-22-61-20-18-59/h59H,2-58H2,1H3

InChIKey

JKXYOQDLERSFPT-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)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]+	1151.8238	399.0
[M+Na]+	1173.8057	388.8
[M-H]-	1149.8092	380.7
[M+NH4]+	1168.8503	407.3
[M+K]+	1189.7797	396.5
[M+H-H2O]+	1133.8138	396.8
[M+HCOO]-	1195.8147	395.5
[M+CH3COO]-	1209.8304	332.0
[M+Na-2H]-	1171.7912	364.2
[M]+	1150.8160	412.4
[M]-	1150.8170	412.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1151.8238

399.0

[M+Na]+

1173.8057

388.8

[M-H]-

1149.8092

380.7

[M+NH4]+

1168.8503

407.3

[M+K]+

1189.7797

396.5

[M+H-H2O]+

1133.8138

396.8

[M+HCOO]-

1195.8147

395.5

[M+CH3COO]-

1209.8304

332.0

[M+Na-2H]-

1171.7912

364.2

[M]+

1150.8160

412.4

[M]-

1150.8170

412.4

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

Brij(r) 76

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe