CID 197999

21216-76-2

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

C1CCN(CC1)CC2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25NO2/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-17-20(24-21)16-22-14-8-3-9-15-22/h1-2,4-7,10-13,20H,3,8-9,14-17H2

InChIKey

KYZBKOVTRZKIGT-UHFFFAOYSA-N

Compound name

1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 323.18854 Da
Monoisotopic Mass: 3.8
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]+	324.195816	178.0
[M+Na]+	346.177758	181.1
[M-H]-	322.181264	188.9
[M+NH4]+	341.222363	190.3
[M+K]+	362.151698	178.8
[M+H-H2O]+	306.185800	167.8
[M+HCOO]-	368.186741	193.4
[M+CH3COO]-	382.202391	187.4
[M+Na-2H]-	344.163206	180.1
[M]+	323.18799142	172.9
[M]-	323.18908858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe