CID 21091

Pimetine

Structural Information

Molecular Formula

C₁₆H₂₆N₂

SMILES

CN(C)CCN1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-17(2)12-13-18-10-8-16(9-11-18)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3

InChIKey

NVZYWFPWKZIVMO-UHFFFAOYSA-N

Compound name

2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 228
Patents: 246.2096 Da
Monoisotopic Mass: 3.0
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]+	247.216876	161.5
[M+Na]+	269.198818	164.3
[M-H]-	245.202324	166.5
[M+NH4]+	264.243423	177.4
[M+K]+	285.172758	161.7
[M+H-H2O]+	229.206860	152.3
[M+HCOO]-	291.207801	181.1
[M+CH3COO]-	305.223451	201.1
[M+Na-2H]-	267.184266	164.4
[M]+	246.20905142	158.4
[M]-	246.21014858	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe