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]+ 295.18163 171.0
[M+Na]+ 317.16357 176.2
[M-H]- 293.16707 174.0
[M+NH4]+ 312.20817 184.7
[M+K]+ 333.13751 173.1
[M+H-H2O]+ 277.17161 162.3
[M+HCOO]- 339.17255 186.4
[M+CH3COO]- 353.18820 204.8
[M+Na-2H]- 315.14902 171.3
[M]+ 294.17380 166.2
[M]- 294.17490 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.