CID 51392

N-[3-(dimethylamino)propyl]dodecanamide

Structural Information

Molecular Formula

C₁₇H₃₆N₂O

SMILES

CCCCCCCCCCCC(=O)NCCCN(C)C

InChI

InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3/h4-16H2,1-3H3,(H,18,20)

InChIKey

TWMFGCHRALXDAR-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]dodecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1759
Patents: 284.28278 Da
Monoisotopic Mass: 5.1
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]+	285.29006	179.8
[M+Na]+	307.27200	181.0
[M-H]-	283.27550	179.5
[M+NH4]+	302.31660	195.8
[M+K]+	323.24594	179.6
[M+H-H2O]+	267.28004	172.2
[M+HCOO]-	329.28098	201.9
[M+CH3COO]-	343.29663	214.8
[M+Na-2H]-	305.25745	179.4
[M]+	284.28223	184.9
[M]-	284.28333	184.9

Literature stripe

literature stripe

Patent stripe

patents stripe