CID 210231

21182-03-6

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CN1CCCC(C1)COC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

JWSKMZJRAOPKDF-UHFFFAOYSA-N

Compound name

3-(benzhydryloxymethyl)-1-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.1936 Da
Monoisotopic Mass: 4.1
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	172.7
[M+Na]+	318.182818	175.4
[M-H]-	294.186324	179.2
[M+NH4]+	313.227423	185.4
[M+K]+	334.156758	170.8
[M+H-H2O]+	278.190860	162.3
[M+HCOO]-	340.191801	189.8
[M+CH3COO]-	354.207451	181.9
[M+Na-2H]-	316.168266	175.0
[M]+	295.19305142	168.3
[M]-	295.19414858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe