CID 65803248

Akos026745166

Structural Information

Molecular Formula

C₅H₈F₃NO₃

SMILES

C(COC(F)(F)F)C(C(=O)O)N

InChI

InChI=1S/C5H8F3NO3/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)

InChIKey

YZWNXEYCKJVGGO-UHFFFAOYSA-N

Compound name

2-amino-4-(trifluoromethoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 187.04562 Da
Monoisotopic Mass: -2.6
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]+	188.05290	133.9
[M+Na]+	210.03484	140.5
[M-H]-	186.03834	128.5
[M+NH4]+	205.07944	152.1
[M+K]+	226.00878	140.1
[M+H-H2O]+	170.04288	126.8
[M+HCOO]-	232.04382	151.1
[M+CH3COO]-	246.05947	180.4
[M+Na-2H]-	208.02029	136.6
[M]+	187.04507	129.0
[M]-	187.04617	129.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.