CID 86291506

C18-peg4-amine

Structural Information

Molecular Formula

C₂₆H₅₅NO₄

SMILES

CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCN

InChI

InChI=1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h2-27H2,1H3

InChIKey

XNBZKOAMRXTXHO-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 445.41312 Da
Monoisotopic Mass: 7.5
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]+	446.420396	221.6
[M+Na]+	468.402338	219.2
[M-H]-	444.405844	216.5
[M+NH4]+	463.446943	227.9
[M+K]+	484.376278	215.5
[M+H-H2O]+	428.410380	212.0
[M+HCOO]-	490.411321	241.4
[M+CH3COO]-	504.426971	238.5
[M+Na-2H]-	466.387786	217.6
[M]+	445.41257142	229.7
[M]-	445.41366858	229.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.