CID 14550548

Dodecaethylene glycol monomethyl ether

Structural Information

Molecular Formula

C₂₅H₅₂O₁₃

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3

InChIKey

PLQZJIIDLZRWBG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 560.3408 Da
Monoisotopic Mass: -2.2
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]+	561.348076	249.5
[M+Na]+	583.330018	248.7
[M-H]-	559.333524	238.3
[M+NH4]+	578.374623	252.0
[M+K]+	599.303958	244.4
[M+H-H2O]+	543.338060	250.0
[M+HCOO]-	605.339001	260.5
[M+CH3COO]-	619.354651	245.0
[M+Na-2H]-	581.315466	231.3
[M]+	560.34025142	250.9
[M]-	560.34134858	250.9

Literature stripe

literature stripe

Patent stripe

patents stripe