CID 86033124

Cyclic-2,3-o-oxalyl-l-threonate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

2
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 134.5
[M+Na]+ 213.00057 143.4
[M+NH4]+ 208.04517 139.0
[M+K]+ 228.97451 142.8
[M-H]- 189.00407 134.5
[M+Na-2H]- 210.98602 134.6
[M]+ 190.01080 135.1
[M]- 190.01190 135.1
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.