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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.181626	170.5
[M+Na]+	317.163568	175.8
[M-H]-	293.167074	173.5
[M+NH4]+	312.208173	186.0
[M+K]+	333.137508	173.0
[M+H-H2O]+	277.171610	162.3
[M+HCOO]-	339.172551	186.0
[M+CH3COO]-	353.188201	203.0
[M+Na-2H]-	315.149016	172.8
[M]+	294.17380142	165.7
[M]-	294.17489858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe