CID 132313511

2126163-16-2

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1CC(OC(C1)C(F)(F)F)CN

InChI

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

InChIKey

JIFZIESCAUWHNQ-UHFFFAOYSA-N

Compound name

[6-(trifluoromethyl)oxan-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.0871 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]+	184.09438	143.4
[M+Na]+	206.07632	150.0
[M+NH4]+	201.12092	149.1
[M+K]+	222.05026	145.9
[M-H]-	182.07982	141.6
[M+Na-2H]-	204.06177	145.0
[M]+	183.08655	143.4
[M]-	183.08765	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.