CID 90658085

Cyclic- 3,4-o-oxalyl-l-threonate

Structural Information

Molecular Formula
C6H6O7
SMILES
C1C(OC(=O)C(=O)O1)C(C(=O)O)O
InChI
InChI=1S/C6H6O7/c7-3(4(8)9)2-1-12-5(10)6(11)13-2/h2-3,7H,1H2,(H,8,9)
InChIKey
FTDFTFXOJYXVTH-UHFFFAOYSA-N
Compound name
2-(5,6-dioxo-1,4-dioxan-2-yl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

190.01135 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01863 132.2
[M+Na]+ 213.00057 138.8
[M-H]- 189.00407 134.5
[M+NH4]+ 208.04517 147.3
[M+K]+ 228.97451 141.1
[M+H-H2O]+ 173.00861 127.1
[M+HCOO]- 235.00955 148.6
[M+CH3COO]- 249.02520 175.5
[M+Na-2H]- 210.98602 136.7
[M]+ 190.01080 132.0
[M]- 190.01190 132.0
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.