CID 2733646

2,3-diethyl (2r,3r)-oxirane-2,3-dicarboxylate

Structural Information

Molecular Formula
C8H12O5
SMILES
CCOC(=O)[C@H]1[C@@H](O1)C(=O)OCC
InChI
InChI=1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
LDFQMMUIJQDSAB-PHDIDXHHSA-N
Compound name
diethyl (2R,3R)-oxirane-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

188.06847 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 139.9
[M+Na]+ 211.05769 149.3
[M-H]- 187.06119 145.5
[M+NH4]+ 206.10229 153.8
[M+K]+ 227.03163 149.7
[M+H-H2O]+ 171.06573 133.8
[M+HCOO]- 233.06667 161.8
[M+CH3COO]- 247.08232 184.7
[M+Na-2H]- 209.04314 144.5
[M]+ 188.06792 148.5
[M]- 188.06902 148.5
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.