CID 96411

1024-11-9

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

CNC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C14H21N3O/c1-16-14(13(15)18)7-9-17(10-8-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3,(H2,15,18)

InChIKey

YSCWOBPZXSXBGB-UHFFFAOYSA-N

Compound name

1-benzyl-4-(methylamino)piperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 39
Patents: 247.16846 Da
Monoisotopic Mass: 0.6
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]+	248.17574	159.2
[M+Na]+	270.15768	169.0
[M+NH4]+	265.20228	168.1
[M+K]+	286.13162	160.9
[M-H]-	246.16118	163.2
[M+Na-2H]-	268.14313	167.1
[M]+	247.16791	161.5
[M]-	247.16901	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe