CID 82518

2-aminoethyl stearate

Structural Information

Molecular Formula

C₂₀H₄₁NO₂

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN

InChI

InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h2-19,21H2,1H3

InChIKey

GKZOXESZAALTKG-UHFFFAOYSA-N

Compound name

2-aminoethyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 216
Patents: 327.31372 Da
Monoisotopic Mass: 7.6
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]+	328.320996	191.9
[M+Na]+	350.302938	192.4
[M-H]-	326.306444	188.9
[M+NH4]+	345.347543	205.5
[M+K]+	366.276878	189.0
[M+H-H2O]+	310.310980	184.1
[M+HCOO]-	372.311921	211.1
[M+CH3COO]-	386.327571	216.6
[M+Na-2H]-	348.288386	189.4
[M]+	327.31317142	198.1
[M]-	327.31426858	198.1

Literature stripe

literature stripe

Patent stripe

patents stripe