CID 228893

6,6,6-trifluoronorleucine

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

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

InChI

InChI=1S/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)

InChIKey

RUEWGWBXZIDRJY-UHFFFAOYSA-N

Compound name

2-amino-6,6,6-trifluorohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 243
Patents: 185.06636 Da
Monoisotopic Mass: -1.0
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	140.9
[M+Na]+	208.05558	145.4
[M+NH4]+	203.10018	144.5
[M+K]+	224.02952	143.2
[M-H]-	184.05908	134.3
[M+Na-2H]-	206.04103	140.4
[M]+	185.06581	139.0
[M]-	185.06691	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe