CID 276735

50632-82-1

Structural Information

Molecular Formula

C₅H₆F₃NO₃

SMILES

C(CNC(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C5H6F3NO3/c6-5(7,8)4(12)9-2-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)

InChIKey

CHQZKOJTYLNXPH-UHFFFAOYSA-N

Compound name

3-[(2,2,2-trifluoroacetyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 185.02998 Da
Monoisotopic Mass: 0.2
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]+	186.03726	139.2
[M+Na]+	208.01920	143.7
[M+NH4]+	203.06380	142.3
[M+K]+	223.99314	141.9
[M-H]-	184.02270	132.0
[M+Na-2H]-	206.00465	138.7
[M]+	185.02943	137.0
[M]-	185.03053	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe