CID 50989635

1803560-89-5

Structural Information

Molecular Formula

C₆H₁₁F₃N₂

SMILES

C1CNCCC1(C(F)(F)F)N

InChI

InChI=1S/C6H11F3N2/c7-6(8,9)5(10)1-3-11-4-2-5/h11H,1-4,10H2

InChIKey

OWOLXDUIPBPYAW-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 168.08743 Da
Monoisotopic Mass: 0.3
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]+	169.09471	133.3
[M+Na]+	191.07665	139.2
[M-H]-	167.08015	129.2
[M+NH4]+	186.12125	152.9
[M+K]+	207.05059	136.7
[M+H-H2O]+	151.08469	125.8
[M+HCOO]-	213.08563	147.3
[M+CH3COO]-	227.10128	175.0
[M+Na-2H]-	189.06210	138.8
[M]+	168.08688	120.8
[M]-	168.08798	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe