CID 14837701

1-(trifluoromethyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CCC(CC1)(C(F)(F)F)N

InChI

InChI=1S/C7H12F3N/c8-7(9,10)6(11)4-2-1-3-5-6/h1-5,11H2

InChIKey

XIORJTOKGGMCRD-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 167.09218 Da
Monoisotopic Mass: 2.0
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	138.0
[M+Na]+	190.08140	144.6
[M+NH4]+	185.12600	145.7
[M+K]+	206.05534	138.2
[M-H]-	166.08490	135.5
[M+Na-2H]-	188.06685	142.4
[M]+	167.09163	137.9
[M]-	167.09273	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe