CID 11579379

D-fluoromethyltyrosine f-18

Structural Information

Molecular Formula
C10H12FNO3
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)OC[18F]
InChI
InChI=1S/C10H12FNO3/c11-6-15-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1/i11-1
InChIKey
GEBHVOHKNWLITQ-DEVVULMSSA-N
Compound name
(2R)-2-amino-3-[4-((18F)fluoranylmethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

212.08266 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08994 144.5
[M+Na]+ 235.07188 150.7
[M-H]- 211.07538 144.9
[M+NH4]+ 230.11648 161.7
[M+K]+ 251.04582 148.8
[M+H-H2O]+ 195.07992 137.4
[M+HCOO]- 257.08086 165.4
[M+CH3COO]- 271.09651 186.8
[M+Na-2H]- 233.05733 147.0
[M]+ 212.08211 142.6
[M]- 212.08321 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe