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]+ 209.029186 138.4
[M+Na]+ 231.011128 143.2
[M-H]- 207.014634 133.2
[M+NH4]+ 226.055733 153.6
[M+K]+ 246.985068 144.3
[M+H-H2O]+ 191.019170 133.7
[M+HCOO]- 253.020111 153.6
[M+CH3COO]- 267.035761 174.9
[M+Na-2H]- 228.996576 137.5
[M]+ 208.02136142 138.2
[M]- 208.02245858 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.