CID 9834479

Fet f-18

Structural Information

Molecular Formula

C₁₁H₁₄FNO₃

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)OCC[18F]

InChI

InChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m0/s1/i12-1

InChIKey

QZZYPHBVOQMBAT-LRAGLOQXSA-N

Compound name

(2S)-2-amino-3-[4-(2-(18F)fluoranylethoxy)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 283
References: 2631
Patents: 226.09831 Da
Monoisotopic Mass: -0.8
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]+	227.10559	149.1
[M+Na]+	249.08753	154.9
[M-H]-	225.09103	149.3
[M+NH4]+	244.13213	165.8
[M+K]+	265.06147	152.8
[M+H-H2O]+	209.09557	141.8
[M+HCOO]-	271.09651	169.7
[M+CH3COO]-	285.11216	189.8
[M+Na-2H]-	247.07298	151.2
[M]+	226.09776	147.6
[M]-	226.09886	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe