CID 12923424
Ethyl 2-chloro-3-oxopentanoate
Structural Information
- Molecular Formula
- C7H11ClO3
- SMILES
- CCC(=O)C(C(=O)OCC)Cl
- InChI
- InChI=1S/C7H11ClO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3
- InChIKey
- GEMFOQNVIPGLNR-UHFFFAOYSA-N
- Compound name
- ethyl 2-chloro-3-oxopentanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.04695 | 134.2 |
[M+Na]+ | 201.02889 | 141.9 |
[M-H]- | 177.03239 | 134.7 |
[M+NH4]+ | 196.07349 | 155.3 |
[M+K]+ | 217.00283 | 140.8 |
[M+H-H2O]+ | 161.03693 | 130.8 |
[M+HCOO]- | 223.03787 | 151.6 |
[M+CH3COO]- | 237.05352 | 180.1 |
[M+Na-2H]- | 199.01434 | 136.9 |
[M]+ | 178.03912 | 138.8 |
[M]- | 178.04022 | 138.8 |