CID 6993580

87-91-2

Structural Information

Molecular Formula
C8H14O6
SMILES
CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O
InChI
InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
YSAVZVORKRDODB-PHDIDXHHSA-N
Compound name
diethyl (2R,3R)-2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

35
References

11042
Patents

206.07904 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08632 143.9
[M+Na]+ 229.06826 149.0
[M-H]- 205.07176 141.2
[M+NH4]+ 224.11286 161.1
[M+K]+ 245.04220 150.2
[M+H-H2O]+ 189.07630 138.9
[M+HCOO]- 251.07724 161.9
[M+CH3COO]- 265.09289 180.7
[M+Na-2H]- 227.05371 144.0
[M]+ 206.07849 146.7
[M]- 206.07959 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

No patent data available for this compound.