CID 139597569

Ns00095122

Structural Information

Molecular Formula

C₃₀H₆₀O₈

SMILES

CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O

InChI

InChI=1S/C30H60O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-19-20-34-21-22-35-23-24-36-25-26-37-27-28-38-29-30(31)32/h2-29H2,1H3,(H,31,32)

InChIKey

VZJSJVDNGDMJFH-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 548.42883 Da
Monoisotopic Mass: 7.8
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]+	549.436106	246.9
[M+Na]+	571.418048	249.1
[M-H]-	547.421554	232.8
[M+NH4]+	566.462653	247.6
[M+K]+	587.391988	247.4
[M+H-H2O]+	531.426090	246.9
[M+HCOO]-	593.427031	254.7
[M+CH3COO]-	607.442681	250.0
[M+Na-2H]-	569.403496	229.9
[M]+	548.42828142	247.0
[M]-	548.42937858	247.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.