CID 64567759

4-(3,3,3-trifluoropropoxy)piperidine

Structural Information

Molecular Formula

C₈H₁₄F₃NO

SMILES

C1CNCCC1OCCC(F)(F)F

InChI

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

InChIKey

NDXWNMUUIZABOM-UHFFFAOYSA-N

Compound name

4-(3,3,3-trifluoropropoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 197.10275 Da
Monoisotopic Mass: 1.7
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	147.0
[M+Na]+	220.09197	153.5
[M+NH4]+	215.13657	152.2
[M+K]+	236.06591	148.7
[M-H]-	196.09547	142.7
[M+Na-2H]-	218.07742	148.9
[M]+	197.10220	146.2
[M]-	197.10330	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe