CID 22096

5837-63-8

Structural Information

Molecular Formula
C10H10O7
SMILES
CCC(=O)OC1=C(C(=O)OC1=O)OC(=O)CC
InChI
InChI=1S/C10H10O7/c1-3-5(11)15-7-8(16-6(12)4-2)10(14)17-9(7)13/h3-4H2,1-2H3
InChIKey
RHLNUQMNCYLGEN-UHFFFAOYSA-N
Compound name
(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04265 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04993 144.8
[M+Na]+ 265.03187 153.6
[M-H]- 241.03537 149.7
[M+NH4]+ 260.07647 162.9
[M+K]+ 281.00581 155.1
[M+H-H2O]+ 225.03991 139.9
[M+HCOO]- 287.04085 167.7
[M+CH3COO]- 301.05650 190.1
[M+Na-2H]- 263.01732 146.7
[M]+ 242.04210 152.1
[M]- 242.04320 152.1
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.