CID 4136128

7006-50-0

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CNC1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3

InChIKey

RGEQSTMITLEXKD-UHFFFAOYSA-N

Compound name

1-benzyl-N-methylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 528
Patents: 204.16264 Da
Monoisotopic Mass: 1.9
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]+	205.16992	147.8
[M+Na]+	227.15186	151.8
[M-H]-	203.15536	151.9
[M+NH4]+	222.19646	164.8
[M+K]+	243.12580	148.5
[M+H-H2O]+	187.15990	139.5
[M+HCOO]-	249.16084	167.9
[M+CH3COO]-	263.17649	188.6
[M+Na-2H]-	225.13731	153.1
[M]+	204.16209	142.4
[M]-	204.16319	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe