CID 86033110

4-o-oxalyl-l-threonate

Structural Information

Molecular Formula
C6H8O8
SMILES
C(C(C(C(=O)O)O)O)OC(=O)C(=O)O
InChI
InChI=1S/C6H8O8/c7-2(3(8)4(9)10)1-14-6(13)5(11)12/h2-3,7-8H,1H2,(H,9,10)(H,11,12)
InChIKey
ABFIJCKNMGMYAX-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4-oxalooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

208.02191 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02919 140.9
[M+Na]+ 231.01113 144.8
[M+NH4]+ 226.05573 142.6
[M+K]+ 246.98507 147.3
[M-H]- 207.01463 133.2
[M+Na-2H]- 228.99658 137.6
[M]+ 208.02136 138.2
[M]- 208.02246 138.2
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.