CID 66450
Diethyl 2-ethyl-2-phenylmalonate
Structural Information
- Molecular Formula
- C15H20O4
- SMILES
- CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC
- InChI
- InChI=1S/C15H20O4/c1-4-15(13(16)18-5-2,14(17)19-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
- InChIKey
- PKRVDBARWFJWEB-UHFFFAOYSA-N
- Compound name
- diethyl 2-ethyl-2-phenylpropanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.14345 | 161.9 |
[M+Na]+ | 287.12539 | 167.2 |
[M-H]- | 263.12889 | 164.9 |
[M+NH4]+ | 282.16999 | 178.4 |
[M+K]+ | 303.09933 | 166.3 |
[M+H-H2O]+ | 247.13343 | 155.5 |
[M+HCOO]- | 309.13437 | 182.3 |
[M+CH3COO]- | 323.15002 | 196.4 |
[M+Na-2H]- | 285.11084 | 165.4 |
[M]+ | 264.13562 | 166.5 |
[M]- | 264.13672 | 166.5 |