CID 50987534

1,1,1-trifluoro-2-(piperidin-4-yl)propan-2-ol

Structural Information

Molecular Formula

C₈H₁₄F₃NO

SMILES

CC(C1CCNCC1)(C(F)(F)F)O

InChI

InChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-2-4-12-5-3-6/h6,12-13H,2-5H2,1H3

InChIKey

CLMDMJJVIPEREU-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 197.10275 Da
Monoisotopic Mass: 1.2
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]+	198.11003	147.2
[M+Na]+	220.09197	152.9
[M+NH4]+	215.13657	151.9
[M+K]+	236.06591	149.5
[M-H]-	196.09547	141.8
[M+Na-2H]-	218.07742	148.5
[M]+	197.10220	146.0
[M]-	197.10330	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe