CID 70378

953-79-7

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

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

InChI

InChI=1S/C14H19N3/c1-16-14(12-15)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,16H,7-11H2,1H3

InChIKey

NVTHHBZDNKNEDB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.1579 Da
Monoisotopic Mass: 1.5
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]+	230.16518	157.6
[M+Na]+	252.14712	169.0
[M+NH4]+	247.19172	164.0
[M+K]+	268.12106	156.5
[M-H]-	228.15062	154.5
[M+Na-2H]-	250.13257	163.7
[M]+	229.15735	157.6
[M]-	229.15845	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe