CID 50990623

1417794-45-6

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1CC(CNC1)(C(F)(F)F)O

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)5(11)2-1-3-10-4-5/h10-11H,1-4H2

InChIKey

SCISXSIATSHKKJ-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 169.07144 Da
Monoisotopic Mass: 0.6
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	133.4
[M+Na]+	192.06066	139.7
[M-H]-	168.06416	128.5
[M+NH4]+	187.10526	152.8
[M+K]+	208.03460	137.2
[M+H-H2O]+	152.06870	126.3
[M+HCOO]-	214.06964	145.7
[M+CH3COO]-	228.08529	170.3
[M+Na-2H]-	190.04611	139.1
[M]+	169.07089	122.2
[M]-	169.07199	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe