CID 13226792
Ethyl 3-hydroxy-3-methyl-2-oxobutanoate
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CCOC(=O)C(=O)C(C)(C)O
- InChI
- InChI=1S/C7H12O4/c1-4-11-6(9)5(8)7(2,3)10/h10H,4H2,1-3H3
- InChIKey
- NRYDVQMXTUOSIA-UHFFFAOYSA-N
- Compound name
- ethyl 3-hydroxy-3-methyl-2-oxobutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 133.5 |
[M+Na]+ | 183.06278 | 141.5 |
[M+NH4]+ | 178.10738 | 139.0 |
[M+K]+ | 199.03672 | 139.5 |
[M-H]- | 159.06628 | 129.9 |
[M+Na-2H]- | 181.04823 | 134.9 |
[M]+ | 160.07301 | 133.2 |
[M]- | 160.07411 | 133.2 |