CID 83914427

1461706-09-1

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CC(CC1CN)C(F)(F)F

InChI

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

InChIKey

KCEHTRCWTGSFSC-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)cyclopentyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.09218 Da
Monoisotopic Mass: 1.8
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]+	168.09946	132.6
[M+Na]+	190.08140	139.3
[M-H]-	166.08490	131.4
[M+NH4]+	185.12600	154.3
[M+K]+	206.05534	137.3
[M+H-H2O]+	150.08944	125.2
[M+HCOO]-	212.09038	151.1
[M+CH3COO]-	226.10603	179.4
[M+Na-2H]-	188.06685	135.1
[M]+	167.09163	123.9
[M]-	167.09273	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.