CID 39872120

Rac-tert-butyl (3r,4s)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H23FN2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-8-13(14(18)10-19)11-4-6-12(17)7-5-11/h4-7,13-14H,8-10,18H2,1-3H3/t13-,14-/m1/s1
InChIKey
DWRQZVPMOAKIDV-ZIAGYGMSSA-N
Compound name
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.181626 171.0
[M+Na]+ 317.163568 176.2
[M-H]- 293.167074 174.0
[M+NH4]+ 312.208173 184.7
[M+K]+ 333.137508 173.1
[M+H-H2O]+ 277.171610 162.3
[M+HCOO]- 339.172551 186.4
[M+CH3COO]- 353.188201 204.8
[M+Na-2H]- 315.149016 171.3
[M]+ 294.17380142 166.2
[M]- 294.17489858 166.2
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.