CID 114308

63833-73-8

Structural Information

Molecular Formula

C₂₃H₄₇NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCO

InChI

InChI=1S/C23H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-22-20-24(2)19-21-25/h25H,3-22H2,1-2H3

InChIKey

APOJFXVGPPNEEB-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(methyl)amino]ethyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 75
Patents: 385.3556 Da
Monoisotopic Mass: 7.9
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]+	386.362876	208.5
[M+Na]+	408.344818	207.5
[M-H]-	384.348324	205.6
[M+NH4]+	403.389423	219.3
[M+K]+	424.318758	204.7
[M+H-H2O]+	368.352860	200.1
[M+HCOO]-	430.353801	226.9
[M+CH3COO]-	444.369451	228.7
[M+Na-2H]-	406.330266	204.3
[M]+	385.35505142	217.7
[M]-	385.35614858	217.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe