CID 15568201

Schembl15965457

Structural Information

Molecular Formula

C₁₂H₂₇NO₆

SMILES

C(COCCO)NCCOCCOCCOCCO

InChI

InChI=1S/C12H27NO6/c14-3-7-16-5-1-13-2-6-17-9-11-19-12-10-18-8-4-15/h13-15H,1-12H2

InChIKey

BRWADZABURJVPA-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 281.18384 Da
Monoisotopic Mass: -2.2
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]+	282.191116	164.4
[M+Na]+	304.173058	166.8
[M-H]-	280.176564	160.3
[M+NH4]+	299.217663	178.4
[M+K]+	320.146998	166.2
[M+H-H2O]+	264.181100	157.3
[M+HCOO]-	326.182041	185.6
[M+CH3COO]-	340.197691	197.1
[M+Na-2H]-	302.158506	168.0
[M]+	281.18329142	172.0
[M]-	281.18438858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe