CID 53414531

1260780-34-4

Structural Information

Molecular Formula

C₁₁H₁₉F₃N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CCNCC1C(F)(F)F

InChI

InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-5-15-6-7(8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)

InChIKey

PIARTJWWYHJFTF-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 268.13986 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]+	269.147136	160.4
[M+Na]+	291.129078	164.8
[M-H]-	267.132584	156.5
[M+NH4]+	286.173683	174.6
[M+K]+	307.103018	162.6
[M+H-H2O]+	251.137120	152.0
[M+HCOO]-	313.138061	171.5
[M+CH3COO]-	327.153711	195.0
[M+Na-2H]-	289.114526	162.5
[M]+	268.13931142	151.5
[M]-	268.14040858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe