CID 4107524

1-heptylnipecotamide

Structural Information

Molecular Formula

C₁₃H₂₆N₂O

SMILES

CCCCCCCN1CCCC(C1)C(=O)N

InChI

InChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-7-8-12(11-15)13(14)16/h12H,2-11H2,1H3,(H2,14,16)

InChIKey

BGQZAHIRBZUDOL-UHFFFAOYSA-N

Compound name

1-heptylpiperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.20451 Da
Monoisotopic Mass: 2.5
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]+	227.211786	158.5
[M+Na]+	249.193728	161.1
[M-H]-	225.197234	158.5
[M+NH4]+	244.238333	174.6
[M+K]+	265.167668	158.8
[M+H-H2O]+	209.201770	150.9
[M+HCOO]-	271.202711	175.8
[M+CH3COO]-	285.218361	194.5
[M+Na-2H]-	247.179176	158.8
[M]+	226.20396142	154.7
[M]-	226.20505858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe