CID 2060943

51591-38-9

Structural Information

Molecular Formula
C8H10O8
SMILES
CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C)C(=O)O
InChI
InChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m1/s1
InChIKey
DNISEZBAYYIQFB-PHDIDXHHSA-N
Compound name
(2R,3R)-2,3-diacetyloxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19750
Patents

234.03757 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.044846 143.6
[M+Na]+ 257.026788 148.6
[M-H]- 233.030294 141.1
[M+NH4]+ 252.071393 159.2
[M+K]+ 273.000728 151.0
[M+H-H2O]+ 217.034830 138.7
[M+HCOO]- 279.035771 160.6
[M+CH3COO]- 293.051421 185.5
[M+Na-2H]- 255.012236 141.9
[M]+ 234.03702142 146.7
[M]- 234.03811858 146.7
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

patents stripe