CID 317555
5-methoxy-3-methyl-5-oxopentanoic acid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CC(CC(=O)O)CC(=O)OC
- InChI
- InChI=1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
- InChIKey
- BYBMHSADRRMVHY-UHFFFAOYSA-N
- Compound name
- 5-methoxy-3-methyl-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 134.1 |
[M+Na]+ | 183.06278 | 142.1 |
[M+NH4]+ | 178.10738 | 139.8 |
[M+K]+ | 199.03672 | 139.7 |
[M-H]- | 159.06628 | 130.9 |
[M+Na-2H]- | 181.04823 | 135.2 |
[M]+ | 160.07301 | 133.8 |
[M]- | 160.07411 | 133.8 |