CID 63898476

1376380-74-3

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CCC(C1)C(C(F)(F)F)N

InChI

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

InChIKey

AODCHWTZHXHHJG-UHFFFAOYSA-N

Compound name

1-cyclopentyl-2,2,2-trifluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 167.09218 Da
Monoisotopic Mass: 2.3
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	139.7
[M+Na]+	190.08140	144.9
[M+NH4]+	185.12600	145.7
[M+K]+	206.05534	142.4
[M-H]-	166.08490	136.3
[M+Na-2H]-	188.06685	141.3
[M]+	167.09163	138.9
[M]-	167.09273	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe