CID 52274441

831169-69-8

Structural Information

Molecular Formula

C₈H₁₄F₃NO

SMILES

C1CN(CCC1CO)CC(F)(F)F

InChI

InChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-7(5-13)2-4-12/h7,13H,1-6H2

InChIKey

CJUSUBQANRFWAA-UHFFFAOYSA-N

Compound name

[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 197.10275 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]+	198.11003	147.5
[M+Na]+	220.09197	154.2
[M+NH4]+	215.13657	152.6
[M+K]+	236.06591	149.6
[M-H]-	196.09547	143.2
[M+Na-2H]-	218.07742	149.1
[M]+	197.10220	146.7
[M]-	197.10330	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe