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]+	198.110026	141.8
[M+Na]+	220.091968	147.6
[M-H]-	196.095474	137.9
[M+NH4]+	215.136573	159.0
[M+K]+	236.065908	145.3
[M+H-H2O]+	180.100010	133.4
[M+HCOO]-	242.100951	154.9
[M+CH3COO]-	256.116601	180.5
[M+Na-2H]-	218.077416	145.1
[M]+	197.10220142	133.2
[M]-	197.10329858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe