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]+ 341.16598 180.1
[M+Na]+ 363.14792 186.3
[M-H]- 339.15142 184.9
[M+NH4]+ 358.19252 195.4
[M+K]+ 379.12186 180.5
[M+H-H2O]+ 323.15596 170.5
[M+HCOO]- 385.15690 195.9
[M+CH3COO]- 399.17255 189.4
[M+Na-2H]- 361.13337 180.1
[M]+ 340.15815 175.9
[M]- 340.15925 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.