CID 2761578

270596-50-4

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

C1=CC(=CC(=C1)F)C[C@@H](CC(=O)O)N

InChI

InChI=1S/C10H12FNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1

InChIKey

UVEHSQZQGJXLEV-VIFPVBQESA-N

Compound name

(3S)-3-amino-4-(3-fluorophenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 377
Patents: 197.0852 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]+	198.09248	141.9
[M+Na]+	220.07442	148.2
[M-H]-	196.07792	142.3
[M+NH4]+	215.11902	159.8
[M+K]+	236.04836	145.7
[M+H-H2O]+	180.08246	135.0
[M+HCOO]-	242.08340	162.6
[M+CH3COO]-	256.09905	184.7
[M+Na-2H]-	218.05987	144.4
[M]+	197.08465	138.6
[M]-	197.08575	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe