CID 45709

63957-02-8

Structural Information

Molecular Formula

C₂₀H₂₁NO₂

SMILES

CN1CCC(CC1)OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C20H21NO2/c1-21-12-10-14(11-13-21)23-20(22)19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3

InChIKey

JNKOTVBFVDWLBU-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) 9H-fluorene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 307.15723 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]+	308.164506	173.5
[M+Na]+	330.146448	179.5
[M-H]-	306.149954	179.8
[M+NH4]+	325.191053	190.3
[M+K]+	346.120388	174.3
[M+H-H2O]+	290.154490	164.7
[M+HCOO]-	352.155431	189.9
[M+CH3COO]-	366.171081	183.7
[M+Na-2H]-	328.131896	174.9
[M]+	307.15668142	171.4
[M]-	307.15777858	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.