CID 21512534

1-benzyl-n-methylpiperidin-3-amine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CNC1CCCN(C1)CC2=CC=CC=C2

InChI

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

InChIKey

XYFAEHZVQWTOPH-UHFFFAOYSA-N

Compound name

1-benzyl-N-methylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
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	149.2
[M+Na]+	227.15186	161.5
[M+NH4]+	222.19646	158.5
[M+K]+	243.12580	153.3
[M-H]-	203.15536	154.2
[M+Na-2H]-	225.13731	157.5
[M]+	204.16209	152.3
[M]-	204.16319	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe