CID 150988

2260-36-8

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

CC(CN1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO/c1-18(17-22-15-9-4-10-16-22)21(23,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,23H,4,9-10,15-17H2,1H3

InChIKey

KERVCTLYKOTLJA-UHFFFAOYSA-N

Compound name

2-methyl-1,1-diphenyl-3-piperidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 309.20926 Da
Monoisotopic Mass: 4.2
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]+	310.216536	176.6
[M+Na]+	332.198478	177.9
[M-H]-	308.201984	181.4
[M+NH4]+	327.243083	187.8
[M+K]+	348.172418	172.7
[M+H-H2O]+	292.206520	166.9
[M+HCOO]-	354.207461	190.3
[M+CH3COO]-	368.223111	203.3
[M+Na-2H]-	330.183926	179.5
[M]+	309.20871142	169.9
[M]-	309.20980858	169.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.