M-peg15-alcohol (C31H64O16)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C31H64O16/c1-33-4-5-35-8-9-37-12-13-39-16-17-41-20-21-43-24-25-45-28-29-47-31-30-46-27-26-44-23-22-42-19-18-40-15-14-38-11-10-36-7-6-34-3-2-32/h32H,2-31H2,1H3

InChIKey

ABOKQTKREVSBIV-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)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]+	693.426706	284.7
[M+Na]+	715.408648	281.2
[M-H]-	691.412154	273.0
[M+NH4]+	710.453253	289.2
[M+K]+	731.382588	279.0
[M+H-H2O]+	675.416690	284.7
[M+HCOO]-	737.417631	292.8
[M+CH3COO]-	751.433281	265.9
[M+Na-2H]-	713.394096	262.3
[M]+	692.41888142	287.8
[M]-	692.41997858	287.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

693.426706

284.7

[M+Na]+

715.408648

281.2

[M-H]-

691.412154

273.0

[M+NH4]+

710.453253

289.2

[M+K]+

731.382588

279.0

[M+H-H2O]+

675.416690

284.7

[M+HCOO]-

737.417631

292.8

[M+CH3COO]-

751.433281

265.9

[M+Na-2H]-

713.394096

262.3

[M]+

692.41888142

287.8

[M]-

692.41997858

287.8

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

M-peg15-alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe