CID 20554065

Amino-peg6-alcohol

Structural Information

Molecular Formula

C₁₂H₂₇NO₆

SMILES

C(COCCOCCOCCOCCOCCO)N

InChI

InChI=1S/C12H27NO6/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h14H,1-13H2

InChIKey

ICUIZKMGHRMMDZ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 281.18384 Da
Monoisotopic Mass: -2.1
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]+	282.19112	164.6
[M+Na]+	304.17306	167.4
[M-H]-	280.17656	161.3
[M+NH4]+	299.21766	179.0
[M+K]+	320.14700	167.4
[M+H-H2O]+	264.18110	157.2
[M+HCOO]-	326.18204	186.6
[M+CH3COO]-	340.19769	198.9
[M+Na-2H]-	302.15851	167.5
[M]+	281.18329	173.0
[M]-	281.18439	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe