CID 146050236

Rac-(9h-fluoren-9-yl)methyl (3r,5s)-3-amino-5-fluoropiperidine-1-carboxylate; trifluoroacetic acid

Structural Information

Molecular Formula
C20H21FN2O2
SMILES
C1[C@H](CN(C[C@H]1F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N
InChI
InChI=1S/C20H21FN2O2/c21-13-9-14(22)11-23(10-13)20(24)25-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12,22H2/t13-,14+/m0/s1
InChIKey
POIWPIIOOTVOBB-UONOGXRCSA-N
Compound name
9H-fluoren-9-ylmethyl (3R,5S)-3-amino-5-fluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1587 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.165976 180.1
[M+Na]+ 363.147918 186.3
[M-H]- 339.151424 184.9
[M+NH4]+ 358.192523 195.4
[M+K]+ 379.121858 180.5
[M+H-H2O]+ 323.155960 170.5
[M+HCOO]- 385.156901 195.9
[M+CH3COO]- 399.172551 189.4
[M+Na-2H]- 361.133366 180.1
[M]+ 340.15815142 175.9
[M]- 340.15924858 175.9
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.