CID 21054728

1211582-61-4

Structural Information

Molecular Formula

C₁₁H₁₉F₃N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(F)(F)F)N

InChI

InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14/h4-7,15H2,1-3H3

InChIKey

NYPUFDUCDMKIGM-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 268.13986 Da
Monoisotopic Mass: 1.7
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]+	269.147136	159.4
[M+Na]+	291.129078	165.2
[M-H]-	267.132584	156.7
[M+NH4]+	286.173683	176.1
[M+K]+	307.103018	164.0
[M+H-H2O]+	251.137120	151.9
[M+HCOO]-	313.138061	171.4
[M+CH3COO]-	327.153711	196.5
[M+Na-2H]-	289.114526	162.4
[M]+	268.13931142	151.8
[M]-	268.14040858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe