CID 84803186

Tert-butyl 4-(aminomethyl)-4-(fluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₃FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN)CF

InChI

InChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-6-4-12(8-13,9-14)5-7-15/h4-9,14H2,1-3H3

InChIKey

OIMAAPGABVJIDK-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)-4-(fluoromethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.17436 Da
Monoisotopic Mass: 1.1
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]+	247.181636	158.9
[M+Na]+	269.163578	163.6
[M-H]-	245.167084	158.5
[M+NH4]+	264.208183	176.5
[M+K]+	285.137518	162.5
[M+H-H2O]+	229.171620	152.4
[M+HCOO]-	291.172561	174.3
[M+CH3COO]-	305.188211	194.1
[M+Na-2H]-	267.149026	161.5
[M]+	246.17381142	154.8
[M]-	246.17490858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.