CID 51340958

M-peg12-amine

Structural Information

Molecular Formula

C₂₅H₅₃NO₁₂

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

InChI

InChI=1S/C25H53NO12/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/h2-26H2,1H3

InChIKey

MSKSQCLPULZWNO-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]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1492
Patents: 559.35675 Da
Monoisotopic Mass: -2.5
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]+	560.364026	249.7
[M+Na]+	582.345968	251.4
[M-H]-	558.349474	240.0
[M+NH4]+	577.390573	251.9
[M+K]+	598.319908	245.8
[M+H-H2O]+	542.354010	249.8
[M+HCOO]-	604.354951	259.8
[M+CH3COO]-	618.370601	250.2
[M+Na-2H]-	580.331416	232.1
[M]+	559.35620142	248.7
[M]-	559.35729858	248.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe