CID 3075922

129320-10-1

Structural Information

Molecular Formula

C₂₀H₄₁NO₂

SMILES

CCCCCCCCCCCCCCCC(=O)OCCN(C)C

InChI

InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21(2)3/h4-19H2,1-3H3

InChIKey

XSKSOLBYWOVVBN-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 327.31372 Da
Monoisotopic Mass: 7.5
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	192.6
[M+Na]+	350.302938	193.4
[M-H]-	326.306444	191.7
[M+NH4]+	345.347543	207.2
[M+K]+	366.276878	191.6
[M+H-H2O]+	310.310980	184.7
[M+HCOO]-	372.311921	212.9
[M+CH3COO]-	386.327571	220.7
[M+Na-2H]-	348.288386	190.3
[M]+	327.31317142	201.1
[M]-	327.31426858	201.1

Literature stripe

literature stripe

Patent stripe

patents stripe