CID 4296140

2,3-diacetylsuccinic anhydride

Structural Information

Molecular Formula
C8H8O5
SMILES
CC(=O)C1C(C(=O)OC1=O)C(=O)C
InChI
InChI=1S/C8H8O5/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h5-6H,1-2H3
InChIKey
IUTCCKBNLGSFGM-UHFFFAOYSA-N
Compound name
3,4-diacetyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.03717 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 131.8
[M+Na]+ 207.026388 140.7
[M-H]- 183.029894 136.7
[M+NH4]+ 202.070993 152.3
[M+K]+ 223.000328 141.6
[M+H-H2O]+ 167.034430 127.8
[M+HCOO]- 229.035371 153.5
[M+CH3COO]- 243.051021 181.3
[M+Na-2H]- 205.011836 133.6
[M]+ 184.03662142 134.2
[M]- 184.03771858 134.2
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

patents stripe