CID 130167257

2-(trifluoromethyl)oxan-4-amine

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1COC(CC1N)C(F)(F)F

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)5-3-4(10)1-2-11-5/h4-5H,1-3,10H2

InChIKey

XGTXXWPCMBJBCB-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)oxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 169.07144 Da
Monoisotopic Mass: 0.9
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]+	170.07872	139.2
[M+Na]+	192.06066	146.0
[M+NH4]+	187.10526	145.0
[M+K]+	208.03460	142.1
[M-H]-	168.06416	137.4
[M+Na-2H]-	190.04611	141.1
[M]+	169.07089	139.2
[M]-	169.07199	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe