CID 14433924

114740-40-8

Structural Information

Molecular Formula

C₂₃H₄₈O₁₂

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C23H48O12/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h24H,2-23H2,1H3

InChIKey

VWDQSWKLHABGKL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 516.3146 Da
Monoisotopic Mass: -2.1
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]+	517.321876	238.0
[M+Na]+	539.303818	238.2
[M-H]-	515.307324	227.0
[M+NH4]+	534.348423	239.9
[M+K]+	555.277758	233.1
[M+H-H2O]+	499.311860	238.7
[M+HCOO]-	561.312801	250.0
[M+CH3COO]-	575.328451	237.7
[M+Na-2H]-	537.289266	221.3
[M]+	516.31405142	239.1
[M]-	516.31514858	239.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe