CID 50664

Ro 2-3245

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

C1CC2CN(C1)CC2OC(=O)C3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C21H21NO2/c23-21(24-19-13-22-11-5-6-14(19)12-22)20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-4,7-10,14,19-20H,5-6,11-13H2

InChIKey

SOYLJULMHMTAEM-UHFFFAOYSA-N

Compound name

1-azabicyclo[3.2.1]octan-6-yl 9H-fluorene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.15723 Da
Monoisotopic Mass: 3.7
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]+	320.164506	175.4
[M+Na]+	342.146448	181.2
[M-H]-	318.149954	181.3
[M+NH4]+	337.191053	194.9
[M+K]+	358.120388	175.5
[M+H-H2O]+	302.154490	167.7
[M+HCOO]-	364.155431	190.3
[M+CH3COO]-	378.171081	185.4
[M+Na-2H]-	340.131896	175.8
[M]+	319.15668142	173.7
[M]-	319.15777858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.