CID 54772435

3-(trifluoromethoxy)piperidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1CC(CNC1)OC(F)(F)F

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)11-5-2-1-3-10-4-5/h5,10H,1-4H2

InChIKey

PPFJYWUZKUUXKI-UHFFFAOYSA-N

Compound name

3-(trifluoromethoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 169.07144 Da
Monoisotopic Mass: 1.4
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]+	170.07872	138.7
[M+Na]+	192.06066	145.6
[M+NH4]+	187.10526	144.2
[M+K]+	208.03460	141.2
[M-H]-	168.06416	134.5
[M+Na-2H]-	190.04611	141.1
[M]+	169.07089	138.0
[M]-	169.07199	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe