CID 49637

Fluorene-9-carboxylic acid, 2-(1-methyl-4-piperidyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C22H25NO2
SMILES
CN1CCC(CC1)CCOC(=O)C2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H25NO2/c1-23-13-10-16(11-14-23)12-15-25-22(24)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21H,10-15H2,1H3
InChIKey
DRTOSCUGEHSXPZ-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)ethyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 182.6
[M+Na]+ 358.17776 195.7
[M+NH4]+ 353.22236 191.7
[M+K]+ 374.15170 188.6
[M-H]- 334.18126 187.2
[M+Na-2H]- 356.16321 187.9
[M]+ 335.18799 185.8
[M]- 335.18909 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.