CID 102978512

1807938-63-1

Structural Information

Molecular Formula

C₉H₁₅F₃N₂O

SMILES

C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N

InChI

InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1

InChIKey

GPYQCFFYXYYNET-SSDOTTSWSA-N

Compound name

1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.11365 Da
Monoisotopic Mass: 0.7
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]+	225.12093	152.1
[M+Na]+	247.10287	157.4
[M+NH4]+	242.14747	156.5
[M+K]+	263.07681	153.7
[M-H]-	223.10637	147.8
[M+Na-2H]-	245.08832	153.0
[M]+	224.11310	151.0
[M]-	224.11420	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.