CID 13714353

4-(trifluoromethyl)cyclohexanamine

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CC(CCC1C(F)(F)F)N

InChI

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

InChIKey

YCBWLMWEQURJHX-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 536
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]+	168.099456	132.9
[M+Na]+	190.081398	138.8
[M-H]-	166.084904	131.5
[M+NH4]+	185.126003	152.8
[M+K]+	206.055338	136.8
[M+H-H2O]+	150.089440	125.3
[M+HCOO]-	212.090381	149.3
[M+CH3COO]-	226.106031	179.6
[M+Na-2H]-	188.066846	136.4
[M]+	167.09163142	122.1
[M]-	167.09272858	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe