CID 4178345

1-dodecylnipecotamide

Structural Information

Molecular Formula

C₁₈H₃₆N₂O

SMILES

CCCCCCCCCCCCN1CCCC(C1)C(=O)N

InChI

InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h17H,2-16H2,1H3,(H2,19,21)

InChIKey

OOSWYPPXWOIAFP-UHFFFAOYSA-N

Compound name

1-dodecylpiperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 296.28278 Da
Monoisotopic Mass: 5.2
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]+	297.290056	180.5
[M+Na]+	319.271998	181.0
[M-H]-	295.275504	179.5
[M+NH4]+	314.316603	193.7
[M+K]+	335.245938	177.4
[M+H-H2O]+	279.280040	172.0
[M+HCOO]-	341.280981	196.1
[M+CH3COO]-	355.296631	209.6
[M+Na-2H]-	317.257446	178.2
[M]+	296.28223142	178.6
[M]-	296.28332858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe