CID 74429

1733-93-3

Structural Information

Molecular Formula

C₁₈H₃₉NO₃

SMILES

CCCCCCCCCCCCOCCN(CCO)CCO

InChI

InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-14-19(12-15-20)13-16-21/h20-21H,2-18H2,1H3

InChIKey

HBHLHEJVEMYNOX-UHFFFAOYSA-N

Compound name

2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 770
Patents: 317.293 Da
Monoisotopic Mass: 4.3
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]+	318.300276	186.6
[M+Na]+	340.282218	187.1
[M-H]-	316.285724	183.0
[M+NH4]+	335.326823	200.1
[M+K]+	356.256158	184.7
[M+H-H2O]+	300.290260	179.1
[M+HCOO]-	362.291201	205.6
[M+CH3COO]-	376.306851	212.1
[M+Na-2H]-	338.267666	185.8
[M]+	317.29245142	193.4
[M]-	317.29354858	193.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe