CID 89396095

1403865-70-2

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1CC(CCC1N)OC(F)(F)F

InChI

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

InChIKey

KAJZYZBAEIDGGU-UHFFFAOYSA-N

Compound name

4-(trifluoromethoxy)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 183.0871 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]+	184.094376	136.0
[M+Na]+	206.076318	141.8
[M-H]-	182.079824	134.6
[M+NH4]+	201.120923	155.2
[M+K]+	222.050258	140.2
[M+H-H2O]+	166.084360	128.2
[M+HCOO]-	228.085301	152.6
[M+CH3COO]-	242.100951	181.6
[M+Na-2H]-	204.061766	139.6
[M]+	183.08655142	126.6
[M]-	183.08764858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe