CID 89396095

4-trifluoromethoxy-cyclohexylamine

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: 4
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]+	184.09438	141.4
[M+Na]+	206.07632	147.7
[M+NH4]+	201.12092	147.2
[M+K]+	222.05026	143.4
[M-H]-	182.07982	138.4
[M+Na-2H]-	204.06177	143.6
[M]+	183.08655	140.9
[M]-	183.08765	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe