CID 10820564

Fluciclovine

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

228
References

688
Patents

133.05391 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06119 127.1
[M+Na]+ 156.04313 133.2
[M-H]- 132.04663 128.0
[M+NH4]+ 151.08773 143.0
[M+K]+ 172.01707 135.4
[M+H-H2O]+ 116.05117 117.4
[M+HCOO]- 178.05211 146.7
[M+CH3COO]- 192.06776 174.6
[M+Na-2H]- 154.02858 131.2
[M]+ 133.05336 131.0
[M]- 133.05446 131.0
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