CID 49760830

1198286-42-8

Structural Information

Molecular Formula
C16H23FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)F)N
InChI
InChI=1S/C16H23FN2O2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-4-6-13(17)7-5-12/h4-7H,8-11,18H2,1-3H3
InChIKey
OFERYNIULZCFTG-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

294.17435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18163 170.5
[M+Na]+ 317.16357 175.8
[M-H]- 293.16707 173.5
[M+NH4]+ 312.20817 186.0
[M+K]+ 333.13751 173.0
[M+H-H2O]+ 277.17161 162.3
[M+HCOO]- 339.17255 186.0
[M+CH3COO]- 353.18820 203.0
[M+Na-2H]- 315.14902 172.8
[M]+ 294.17380 165.7
[M]- 294.17490 165.7
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

patents stripe