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: 47
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]+	219.149176	150.8
[M+Na]+	241.131118	155.0
[M-H]-	217.134624	155.2
[M+NH4]+	236.175723	167.2
[M+K]+	257.105058	152.1
[M+H-H2O]+	201.139160	142.6
[M+HCOO]-	263.140101	170.4
[M+CH3COO]-	277.155751	189.3
[M+Na-2H]-	239.116566	154.9
[M]+	218.14135142	145.3
[M]-	218.14244858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe