CID 66436540

2089255-24-1

Structural Information

Molecular Formula

C₉H₁₆F₃N

SMILES

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

InChI

InChI=1S/C9H16F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8H,2-5,13H2,1H3

InChIKey

FOZSBVXHRTVIJA-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)cyclohexyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.12349 Da
Monoisotopic Mass: 2.5
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]+	196.13077	142.3
[M+Na]+	218.11271	147.0
[M-H]-	194.11621	140.6
[M+NH4]+	213.15731	161.0
[M+K]+	234.08665	145.0
[M+H-H2O]+	178.12075	134.4
[M+HCOO]-	240.12169	157.0
[M+CH3COO]-	254.13734	186.5
[M+Na-2H]-	216.09816	143.5
[M]+	195.12294	131.5
[M]-	195.12404	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe