CID 72210108

2375267-81-3

Structural Information

Molecular Formula

C₁₁H₁₉F₃N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNCC1CC(F)(F)F

InChI

InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-15-7-8(16)6-11(12,13)14/h8,15H,4-7H2,1-3H3

InChIKey

QDJQPSDQSUMFFG-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2,2,2-trifluoroethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 268.13986 Da
Monoisotopic Mass: 2.0
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	161.8
[M+Na]+	291.129078	167.1
[M-H]-	267.132584	156.6
[M+NH4]+	286.173683	175.0
[M+K]+	307.103018	164.8
[M+H-H2O]+	251.137120	152.9
[M+HCOO]-	313.138061	170.5
[M+CH3COO]-	327.153711	192.8
[M+Na-2H]-	289.114526	163.5
[M]+	268.13931142	154.3
[M]-	268.14040858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe