CID 62333

Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [s-(r*,r*)]-

Structural Information

Molecular Formula
C8H14O6
SMILES
CCOC(=O)C(C(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
InChIKey
YSAVZVORKRDODB-UHFFFAOYSA-N
Compound name
diethyl 2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

35
References

10992
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

literature stripe

Patent stripe

patents stripe