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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.08122 | 154.4 |
[M+Na]+ | 293.06316 | 162.3 |
[M-H]- | 269.06666 | 158.9 |
[M+NH4]+ | 288.10776 | 171.4 |
[M+K]+ | 309.03710 | 163.3 |
[M+H-H2O]+ | 253.07120 | 149.1 |
[M+HCOO]- | 315.07214 | 176.6 |
[M+CH3COO]- | 329.08779 | 196.0 |
[M+Na-2H]- | 291.04861 | 155.2 |
[M]+ | 270.07339 | 162.4 |
[M]- | 270.07449 | 162.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.