CID 45709

4-(n-methylpiperidyl)-9-fluorenecarboxylate hydrochloride

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

0
Patents

307.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 173.5
[M+Na]+ 330.14645 179.5
[M-H]- 306.14995 179.8
[M+NH4]+ 325.19105 190.3
[M+K]+ 346.12039 174.3
[M+H-H2O]+ 290.15449 164.7
[M+HCOO]- 352.15543 189.9
[M+CH3COO]- 366.17108 183.7
[M+Na-2H]- 328.13190 174.9
[M]+ 307.15668 171.4
[M]- 307.15778 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.