CID 228893

6,6,6-trifluoro-dl-norleucine

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: 1
References: 209
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]+	186.073636	136.0
[M+Na]+	208.055578	142.3
[M-H]-	184.059084	130.5
[M+NH4]+	203.100183	154.4
[M+K]+	224.029518	141.2
[M+H-H2O]+	168.063620	129.0
[M+HCOO]-	230.064561	152.6
[M+CH3COO]-	244.080211	181.4
[M+Na-2H]-	206.041026	138.1
[M]+	185.06581142	130.0
[M]-	185.06690858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe