CID 89889

N-[3-(dimethylamino)propyl]octanamide

Structural Information

Molecular Formula

C₁₃H₂₈N₂O

SMILES

CCCCCCCC(=O)NCCCN(C)C

InChI

InChI=1S/C13H28N2O/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2)3/h4-12H2,1-3H3,(H,14,16)

InChIKey

RZJGTTOKUNMVCJ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 228.22017 Da
Monoisotopic Mass: 2.9
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]+	229.22745	159.9
[M+Na]+	251.20939	166.9
[M+NH4]+	246.25399	166.4
[M+K]+	267.18333	160.8
[M-H]-	227.21289	160.1
[M+Na-2H]-	249.19484	161.9
[M]+	228.21962	160.5
[M]-	228.22072	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe