CID 2760900

9h-fluoren-9-ylmethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₂

SMILES

C1C2CNC1CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C20H20N2O2/c23-20(22-11-13-9-14(22)10-21-13)24-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,21H,9-12H2

InChIKey

RLNZYGFONFGKGT-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.15247 Da
Monoisotopic Mass: 2.8
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]+	321.159746	176.0
[M+Na]+	343.141688	182.8
[M-H]-	319.145194	180.5
[M+NH4]+	338.186293	195.5
[M+K]+	359.115628	177.1
[M+H-H2O]+	303.149730	169.2
[M+HCOO]-	365.150671	191.0
[M+CH3COO]-	379.166321	185.9
[M+Na-2H]-	341.127136	174.6
[M]+	320.15192142	175.4
[M]-	320.15301858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.