CID 85787076

Schembl6129417

Structural Information

Molecular Formula

C₁₇H₃₇NO₃

SMILES

CCCCCCCCCCOCCCN(CCO)CCO

InChI

InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-16-21-17-10-11-18(12-14-19)13-15-20/h19-20H,2-17H2,1H3

InChIKey

ALGXBHUNFXXMTQ-UHFFFAOYSA-N

Compound name

2-[3-decoxypropyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 303.27734 Da
Monoisotopic Mass: 3.6
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]+	304.284616	182.2
[M+Na]+	326.266558	183.1
[M-H]-	302.270064	178.8
[M+NH4]+	321.311163	196.3
[M+K]+	342.240498	181.0
[M+H-H2O]+	286.274600	174.9
[M+HCOO]-	348.275541	201.6
[M+CH3COO]-	362.291191	209.2
[M+Na-2H]-	324.252006	181.9
[M]+	303.27679142	188.6
[M]-	303.27788858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe