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)fluoranyl-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
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

literature stripe

Patent stripe

patents stripe