CID 253377

5,5,5-trifluoro-dl-norvaline

Structural Information

Molecular Formula

C₅H₈F₃NO₂

SMILES

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

InChI

InChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)

InChIKey

KTZZIDWVKLDWBF-UHFFFAOYSA-N

Compound name

2-amino-5,5,5-trifluoropentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 258
Patents: 171.05072 Da
Monoisotopic Mass: -1.5
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]+	172.05800	131.3
[M+Na]+	194.03994	138.1
[M-H]-	170.04344	126.0
[M+NH4]+	189.08454	150.2
[M+K]+	210.01388	137.1
[M+H-H2O]+	154.04798	124.5
[M+HCOO]-	216.04892	148.3
[M+CH3COO]-	230.06457	178.3
[M+Na-2H]-	192.02539	133.9
[M]+	171.05017	124.9
[M]-	171.05127	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe