CID 4669390

2-amino-2-(4-fluoro-phenyl)-propionic acid

Structural Information

Molecular Formula

C₉H₁₀FNO₂

SMILES

CC(C1=CC=C(C=C1)F)(C(=O)O)N

InChI

InChI=1S/C9H10FNO2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3,(H,12,13)

InChIKey

ORLSRSJHRJOCNH-UHFFFAOYSA-N

Compound name

2-amino-2-(4-fluorophenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 183.06955 Da
Monoisotopic Mass: -1.4
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]+	184.076826	136.5
[M+Na]+	206.058768	144.0
[M-H]-	182.062274	137.4
[M+NH4]+	201.103373	155.3
[M+K]+	222.032708	141.7
[M+H-H2O]+	166.066810	130.5
[M+HCOO]-	228.067751	157.0
[M+CH3COO]-	242.083401	181.1
[M+Na-2H]-	204.044216	141.6
[M]+	183.06900142	133.0
[M]-	183.07009858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe