CID 12502784
2-isopropyl-1,3-dioxane-5,5-dicarboxylic acid diethyl ester
Structural Information
- Molecular Formula
- C13H22O6
- SMILES
- CCOC(=O)C1(COC(OC1)C(C)C)C(=O)OCC
- InChI
- InChI=1S/C13H22O6/c1-5-16-11(14)13(12(15)17-6-2)7-18-10(9(3)4)19-8-13/h9-10H,5-8H2,1-4H3
- InChIKey
- IELCLUJNTNQUEW-UHFFFAOYSA-N
- Compound name
- diethyl 2-propan-2-yl-1,3-dioxane-5,5-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.14891 | 161.9 |
[M+Na]+ | 297.13085 | 166.2 |
[M-H]- | 273.13435 | 165.9 |
[M+NH4]+ | 292.17545 | 177.2 |
[M+K]+ | 313.10479 | 169.7 |
[M+H-H2O]+ | 257.13889 | 156.6 |
[M+HCOO]- | 319.13983 | 177.7 |
[M+CH3COO]- | 333.15548 | 197.6 |
[M+Na-2H]- | 295.11630 | 164.5 |
[M]+ | 274.14108 | 166.4 |
[M]- | 274.14218 | 166.4 |
Literature stripe
No literature data available for this compound.