CID 121552686

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

Structural Information

Molecular Formula
C17H25FN2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)CN)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-9-8-15(13(10-19)11-20)12-4-6-14(18)7-5-12/h4-7,13,15H,8-11,19H2,1-3H3/t13-,15-/m1/s1
InChIKey
IWJGXWXLGKKCJJ-UKRRQHHQSA-N
Compound name
tert-butyl (3R,4S)-3-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19728 175.8
[M+Na]+ 331.17922 185.0
[M+NH4]+ 326.22382 181.6
[M+K]+ 347.15316 179.7
[M-H]- 307.18272 176.9
[M+Na-2H]- 329.16467 179.8
[M]+ 308.18945 177.1
[M]- 308.19055 177.1
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.