CID 44473425

Florilglutamic acid (18f)

Structural Information

Molecular Formula
C8H14FNO4
SMILES
C(C[C@@H](C[C@@H](C(=O)O)N)C(=O)O)C[18F]
InChI
InChI=1S/C8H14FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1/i9-1
InChIKey
MKDNDKMECWBLOF-XUCPOOORSA-N
Compound name
(2S,4S)-2-amino-4-(3-(18F)fluoranylpropyl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

29
Patents

206.09322 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10050 145.7
[M+Na]+ 229.08244 149.9
[M-H]- 205.08594 140.9
[M+NH4]+ 224.12704 162.1
[M+K]+ 245.05638 149.2
[M+H-H2O]+ 189.09048 139.5
[M+HCOO]- 251.09142 162.5
[M+CH3COO]- 265.10707 184.9
[M+Na-2H]- 227.06789 144.1
[M]+ 206.09267 142.5
[M]- 206.09377 142.5
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