CID 259832

5,5,5-trifluoro-dl-leucine

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

CC(CC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)

InChIKey

XFGVJLGVINCWDP-UHFFFAOYSA-N

Compound name

2-amino-5,5,5-trifluoro-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 2458
Patents: 185.06636 Da
Monoisotopic Mass: -0.9
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]+	186.07364	141.2
[M+Na]+	208.05558	145.4
[M+NH4]+	203.10018	144.7
[M+K]+	224.02952	143.9
[M-H]-	184.05908	134.4
[M+Na-2H]-	206.04103	140.3
[M]+	185.06581	139.1
[M]-	185.06691	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe