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: 0
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]+	227.21179	158.5
[M+Na]+	249.19373	161.1
[M-H]-	225.19723	158.5
[M+NH4]+	244.23833	174.6
[M+K]+	265.16767	158.8
[M+H-H2O]+	209.20177	150.9
[M+HCOO]-	271.20271	175.8
[M+CH3COO]-	285.21836	194.5
[M+Na-2H]-	247.17918	158.8
[M]+	226.20396	154.7
[M]-	226.20506	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe