CID 59116143

110246-09-8

Structural Information

Molecular Formula

C₂₁H₂₇N

SMILES

CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H27N/c1-18(22-15-9-4-10-16-22)17-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3

InChIKey

AEVKYUNBJONFHN-UHFFFAOYSA-N

Compound name

1-(4,4-diphenylbutan-2-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 293.21436 Da
Monoisotopic Mass: 5.3
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]+	294.221636	173.6
[M+Na]+	316.203578	174.6
[M-H]-	292.207084	179.5
[M+NH4]+	311.248183	186.0
[M+K]+	332.177518	169.7
[M+H-H2O]+	276.211620	163.2
[M+HCOO]-	338.212561	189.1
[M+CH3COO]-	352.228211	182.0
[M+Na-2H]-	314.189026	174.9
[M]+	293.21381142	167.1
[M]-	293.21490858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe