C11-peg13-alcohol (C35H72O13)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C35H72O13/c1-2-3-4-5-6-7-8-9-10-12-37-14-16-39-18-20-41-22-24-43-26-28-45-30-32-47-34-35-48-33-31-46-29-27-44-25-23-42-21-19-40-17-15-38-13-11-36/h36H,2-35H2,1H3

InChIKey

BWQLDBZHBVQNIK-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-undecoxyethoxy)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]+	701.504576	285.4
[M+Na]+	723.486518	282.8
[M-H]-	699.490024	270.3
[M+NH4]+	718.531123	287.8
[M+K]+	739.460458	282.6
[M+H-H2O]+	683.494560	284.7
[M+HCOO]-	745.495501	292.4
[M+CH3COO]-	759.511151	271.4
[M+Na-2H]-	721.471966	262.8
[M]+	700.49675142	287.1
[M]-	700.49784858	287.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

701.504576

285.4

[M+Na]+

723.486518

282.8

[M-H]-

699.490024

270.3

[M+NH4]+

718.531123

287.8

[M+K]+

739.460458

282.6

[M+H-H2O]+

683.494560

284.7

[M+HCOO]-

745.495501

292.4

[M+CH3COO]-

759.511151

271.4

[M+Na-2H]-

721.471966

262.8

[M]+

700.49675142

287.1

[M]-

700.49784858

287.1

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

C11-peg13-alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe