CID 104666

Einecs 258-905-3

Structural Information

Molecular Formula

C₁₈H₃₈N₂O₂

SMILES

CCCCCCCCCCCCCC(=O)NCCNCCO

InChI

InChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-15-14-19-16-17-21/h19,21H,2-17H2,1H3,(H,20,22)

InChIKey

GFVTUBMIUWNDMN-UHFFFAOYSA-N

Compound name

N-[2-(2-hydroxyethylamino)ethyl]tetradecanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 314.29333 Da
Monoisotopic Mass: 4.7
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]+	315.300606	185.4
[M+Na]+	337.282548	185.4
[M-H]-	313.286054	181.8
[M+NH4]+	332.327153	198.6
[M+K]+	353.256488	182.0
[M+H-H2O]+	297.290590	177.6
[M+HCOO]-	359.291531	205.4
[M+CH3COO]-	373.307181	213.8
[M+Na-2H]-	335.267996	184.8
[M]+	314.29278142	189.0
[M]-	314.29387858	189.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe