CID 63897715

2089257-13-4

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1COCCC1C(C(F)(F)F)N

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)6(11)5-1-3-12-4-2-5/h5-6H,1-4,11H2

InChIKey

WCFHFGFGUVXTPA-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(oxan-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.0871 Da
Monoisotopic Mass: 1.1
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]+	184.09438	143.3
[M+Na]+	206.07632	149.3
[M+NH4]+	201.12092	148.9
[M+K]+	222.05026	145.7
[M-H]-	182.07982	141.2
[M+Na-2H]-	204.06177	144.8
[M]+	183.08655	143.0
[M]-	183.08765	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.