CID 450601

Fluciclovine (18f)

Structural Information

Molecular Formula
C5H8FNO2
SMILES
C1C(CC1(C(=O)O)N)[18F]
InChI
InChI=1S/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/i6-1
InChIKey
NTEDWGYJNHZKQW-KWCOIAHCSA-N
Compound name
1-amino-3-(18F)fluoranylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

228
References

688
Patents

132.05644 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06372 130.4
[M+Na]+ 155.04566 134.0
[M+NH4]+ 150.09026 134.5
[M+K]+ 171.01960 130.6
[M-H]- 131.04916 126.4
[M+Na-2H]- 153.03111 131.9
[M]+ 132.05589 128.3
[M]- 132.05699 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe