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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 184.3
[M+Na]+ 354.14645 197.1
[M+NH4]+ 349.19105 189.5
[M+K]+ 370.12039 186.8
[M-H]- 330.14995 180.2
[M+Na-2H]- 352.13190 186.1
[M]+ 331.15668 184.2
[M]- 331.15778 184.2
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.