CID 513914

6283-74-5

Structural Information

Molecular Formula
C8H8O7
SMILES
CC(=O)O[C@@H]1[C@H](C(=O)OC1=O)OC(=O)C
InChI
InChI=1S/C8H8O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h5-6H,1-2H3/t5-,6-/m1/s1
InChIKey
XAKITKDHDMPGPW-PHDIDXHHSA-N
Compound name
[(3R,4R)-4-acetyloxy-2,5-dioxooxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

778
Patents

216.02701 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03429 142.0
[M+Na]+ 239.01623 149.8
[M+NH4]+ 234.06083 146.3
[M+K]+ 254.99017 150.7
[M-H]- 215.01973 140.4
[M+Na-2H]- 237.00168 141.8
[M]+ 216.02646 142.0
[M]- 216.02756 142.0
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