CID 526555

4437-01-8

Structural Information

Molecular Formula

C₁₅H₃₂O₈

SMILES

COCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C15H32O8/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16/h16H,2-15H2,1H3

InChIKey

AGWKUHGLWHMYTG-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 694
Patents: 340.20972 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

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]+	341.216996	178.8
[M+Na]+	363.198938	181.0
[M-H]-	339.202444	175.5
[M+NH4]+	358.243543	192.9
[M+K]+	379.172878	181.8
[M+H-H2O]+	323.206980	171.0
[M+HCOO]-	385.207921	209.0
[M+CH3COO]-	399.223571	207.3
[M+Na-2H]-	361.184386	181.3
[M]+	340.20917142	193.2
[M]-	340.21026858	193.2

Literature stripe

literature stripe

Patent stripe

patents stripe