CID 137528212

Me4fdg

Structural Information

Molecular Formula
C7H13FO5
SMILES
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)[18F])O)O
InChI
InChI=1S/C7H13FO5/c1-12-7-6(11)5(10)4(8)3(2-9)13-7/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1/i8-1
InChIKey
PGYKOSXDWWGTOB-XZWCPNKHSA-N
Compound name
(2S,3R,4R,5S,6R)-5-(18F)fluoro-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

195.07724 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08452 138.2
[M+Na]+ 218.06646 145.6
[M-H]- 194.06996 137.4
[M+NH4]+ 213.11106 154.8
[M+K]+ 234.04040 145.3
[M+H-H2O]+ 178.07450 132.7
[M+HCOO]- 240.07544 153.5
[M+CH3COO]- 254.09109 176.8
[M+Na-2H]- 216.05191 140.9
[M]+ 195.07669 135.8
[M]- 195.07779 135.8
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

No patent data available for this compound.