CID 44148676

70521-71-0

Structural Information

Molecular Formula

C₁₉H₃₉NO₄

SMILES

CCCCCCCCCCCCC(CN(CCC(=O)O)CCO)O

InChI

InChI=1S/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24/h18,21-22H,2-17H2,1H3,(H,23,24)

InChIKey

UNQIFGWGEAIJPF-UHFFFAOYSA-N

Compound name

3-[2-hydroxyethyl(2-hydroxytetradecyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 345.2879 Da
Monoisotopic Mass: 2.3
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]+	346.295176	193.9
[M+Na]+	368.277118	193.3
[M-H]-	344.280624	188.9
[M+NH4]+	363.321723	205.2
[M+K]+	384.251058	190.9
[M+H-H2O]+	328.285160	186.5
[M+HCOO]-	390.286101	209.5
[M+CH3COO]-	404.301751	215.4
[M+Na-2H]-	366.262566	189.6
[M]+	345.28735142	198.5
[M]-	345.28844858	198.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe