CID 52810925

2093426-51-6

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C[C@@H]1CCN[C@@H](C1)C(F)(F)F

InChI

InChI=1S/C7H12F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m1/s1

InChIKey

WAZJVLNXDYCATL-RITPCOANSA-N

Compound name

(2S,4R)-4-methyl-2-(trifluoromethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 167.09218 Da
Monoisotopic Mass: 2.3
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]+	168.09946	140.6
[M+Na]+	190.08140	148.0
[M+NH4]+	185.12600	146.4
[M+K]+	206.05534	143.1
[M-H]-	166.08490	136.8
[M+Na-2H]-	188.06685	142.9
[M]+	167.09163	140.2
[M]-	167.09273	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe