CID 59209

102107-28-8

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CN1CCCCC1C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25NO2/c1-22-15-9-8-14-19(22)20-16-23-21(24-20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-16H2,1H3

InChIKey

RPCWBNGIMNMRSU-UHFFFAOYSA-N

Compound name

2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	178.3
[M+Na]+	346.177758	182.4
[M-H]-	322.181264	189.6
[M+NH4]+	341.222363	190.9
[M+K]+	362.151698	180.1
[M+H-H2O]+	306.185800	168.3
[M+HCOO]-	368.186741	193.8
[M+CH3COO]-	382.202391	188.1
[M+Na-2H]-	344.163206	179.8
[M]+	323.18799142	173.6
[M]-	323.18908858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe