CID 16227766

56287-83-3

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CC(CC(C1)N)C(F)(F)F

InChI

InChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2

InChIKey

FFCACAFKNHPVNI-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 167.09218 Da
Monoisotopic Mass: 1.9
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]+	168.09946	132.9
[M+Na]+	190.08140	138.8
[M-H]-	166.08490	131.5
[M+NH4]+	185.12600	152.8
[M+K]+	206.05534	136.8
[M+H-H2O]+	150.08944	125.3
[M+HCOO]-	212.09038	149.3
[M+CH3COO]-	226.10603	179.6
[M+Na-2H]-	188.06685	136.4
[M]+	167.09163	122.1
[M]-	167.09273	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe