CID 10285815
Dimethyl l-malate
Structural Information
- Molecular Formula
- C6H10O5
- SMILES
- COC(=O)C[C@@H](C(=O)OC)O
- InChI
- InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1
- InChIKey
- YSEKNCXYRGKTBJ-BYPYZUCNSA-N
- Compound name
- dimethyl (2S)-2-hydroxybutanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.06011 | 131.4 |
[M+Na]+ | 185.04205 | 138.1 |
[M-H]- | 161.04555 | 130.5 |
[M+NH4]+ | 180.08665 | 151.3 |
[M+K]+ | 201.01599 | 139.6 |
[M+H-H2O]+ | 145.05009 | 126.8 |
[M+HCOO]- | 207.05103 | 152.4 |
[M+CH3COO]- | 221.06668 | 174.0 |
[M+Na-2H]- | 183.02750 | 134.4 |
[M]+ | 162.05228 | 134.6 |
[M]- | 162.05338 | 134.6 |