CID 17888020

1078726-20-1

Structural Information

Molecular Formula

C₈H₁₄F₃N

SMILES

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

InChI

InChI=1S/C8H14F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7H,1-5,12H2

InChIKey

HTJYTQSIEXSPGU-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2,2,2-trifluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 181.10783 Da
Monoisotopic Mass: 2.8
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]+	182.115106	137.9
[M+Na]+	204.097048	142.1
[M-H]-	180.100554	136.0
[M+NH4]+	199.141653	156.9
[M+K]+	220.070988	140.3
[M+H-H2O]+	164.105090	129.9
[M+HCOO]-	226.106031	153.0
[M+CH3COO]-	240.121681	182.4
[M+Na-2H]-	202.082496	140.3
[M]+	181.10728142	126.4
[M]-	181.10837858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe