CID 8928

143-29-3

Structural Information

Molecular Formula

C₁₇H₃₆O₆

SMILES

CCCCOCCOCCOCOCCOCCOCCCC

InChI

InChI=1S/C17H36O6/c1-3-5-7-18-9-11-20-13-15-22-17-23-16-14-21-12-10-19-8-6-4-2/h3-17H2,1-2H3

InChIKey

DKWHHTWSTXZKDW-UHFFFAOYSA-N

Compound name

1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 700
Patents: 336.2512 Da
Monoisotopic Mass: 1.6
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]+	337.25848	183.8
[M+Na]+	359.24042	190.2
[M+NH4]+	354.28502	187.7
[M+K]+	375.21436	183.9
[M-H]-	335.24392	180.7
[M+Na-2H]-	357.22587	183.3
[M]+	336.25065	183.3
[M]-	336.25175	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe