CID 94161

6159-39-3

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCCCC3

InChI

InChI=1S/C20H25NO/c1-17(21-15-9-4-10-16-21)20(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,22H,4,9-10,15-16H2,1H3

InChIKey

ZOCMPVMKPVJTEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 112
Patents: 295.1936 Da
Monoisotopic Mass: 3.9
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]+	296.200876	172.1
[M+Na]+	318.182818	173.9
[M-H]-	294.186324	177.2
[M+NH4]+	313.227423	184.0
[M+K]+	334.156758	168.9
[M+H-H2O]+	278.190860	162.6
[M+HCOO]-	340.191801	186.2
[M+CH3COO]-	354.207451	200.3
[M+Na-2H]-	316.168266	175.6
[M]+	295.19305142	165.1
[M]-	295.19414858	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe