CID 8597

132-79-6

Structural Information

Molecular Formula
C8H6O7
SMILES
CC(=O)OC1=C(C(=O)OC1=O)OC(=O)C
InChI
InChI=1S/C8H6O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h1-2H3
InChIKey
HJRDEQUJLQKDIL-UHFFFAOYSA-N
Compound name
(4-acetyloxy-2,5-dioxofuran-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01135 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01863 135.1
[M+Na]+ 237.00057 144.8
[M-H]- 213.00407 140.4
[M+NH4]+ 232.04517 154.4
[M+K]+ 252.97451 146.7
[M+H-H2O]+ 197.00861 130.6
[M+HCOO]- 259.00955 158.7
[M+CH3COO]- 273.02520 184.1
[M+Na-2H]- 234.98602 138.1
[M]+ 214.01080 141.7
[M]- 214.01190 141.7
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.