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)fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

229
References

796
Patents

132.05644 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.063716 126.9
[M+Na]+ 155.045658 133.0
[M-H]- 131.049164 127.8
[M+NH4]+ 150.090263 142.8
[M+K]+ 171.019598 135.2
[M+H-H2O]+ 115.053700 117.2
[M+HCOO]- 177.054641 146.5
[M+CH3COO]- 191.070291 174.6
[M+Na-2H]- 153.031106 131.0
[M]+ 132.05589142 130.8
[M]- 132.05698858 130.8
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