CID 8600

132-82-1

Structural Information

Molecular Formula
C12H14O7
SMILES
CCCC(=O)OC1=C(C(=O)OC1=O)OC(=O)CCC
InChI
InChI=1S/C12H14O7/c1-3-5-7(13)17-9-10(12(16)19-11(9)15)18-8(14)6-4-2/h3-6H2,1-2H3
InChIKey
SMFDSCCTAOVFIJ-UHFFFAOYSA-N
Compound name
(4-butanoyloxy-2,5-dioxofuran-3-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07394 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08122 158.0
[M+Na]+ 293.06316 165.9
[M+NH4]+ 288.10776 161.7
[M+K]+ 309.03710 165.7
[M-H]- 269.06666 156.5
[M+Na-2H]- 291.04861 157.6
[M]+ 270.07339 158.1
[M]- 270.07449 158.1
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.