CID 4047647

2589-19-7

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCCC2

InChI

InChI=1S/C13H18N2O/c1-11-5-7-12(8-6-11)14-13(16)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)

InChIKey

NSXGCPYCUKGQIL-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)piperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 218.1419 Da
Monoisotopic Mass: 2.3
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]+	219.14918	151.7
[M+Na]+	241.13112	163.3
[M+NH4]+	236.17572	160.1
[M+K]+	257.10506	156.4
[M-H]-	217.13462	155.8
[M+Na-2H]-	239.11657	159.1
[M]+	218.14135	154.3
[M]-	218.14245	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe