CID 8928

5,8,11,13,16,19-hexaoxatricosane

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

5
Annotation Hits: 0
References: 994
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]+	337.258476	184.5
[M+Na]+	359.240418	186.8
[M-H]-	335.243924	182.5
[M+NH4]+	354.285023	198.2
[M+K]+	375.214358	186.7
[M+H-H2O]+	319.248460	176.7
[M+HCOO]-	381.249401	206.1
[M+CH3COO]-	395.265051	211.8
[M+Na-2H]-	357.225866	186.1
[M]+	336.25065142	198.8
[M]-	336.25174858	198.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe