CID 165992978

(9h-fluoren-9-yl)methyl 4-ethynylpiperidine-1-carboxylate

Structural Information

Molecular Formula

C₂₂H₂₁NO₂

SMILES

C#CC1CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C22H21NO2/c1-2-16-11-13-23(14-12-16)22(24)25-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h1,3-10,16,21H,11-15H2

InChIKey

MJISMTQUQQSIKV-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl 4-ethynylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.15723 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]+	332.164506	184.1
[M+Na]+	354.146448	193.4
[M-H]-	330.149954	187.3
[M+NH4]+	349.191053	197.9
[M+K]+	370.120388	182.3
[M+H-H2O]+	314.154490	169.4
[M+HCOO]-	376.155431	194.6
[M+CH3COO]-	390.171081	191.8
[M+Na-2H]-	352.131896	183.2
[M]+	331.15668142	176.5
[M]-	331.15777858	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.