CID 54675778
2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate
Structural Information
- Molecular Formula
- C10H12O6
- SMILES
- CC(C)C(=O)/C=C\C(=C(/C(=O)O)\O)\C(=O)O
- InChI
- InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/b4-3-,8-6-
- InChIKey
- QIADQBIXDULDTJ-XYMCEGRYSA-N
- Compound name
- (Z)-2-hydroxy-3-[(Z)-4-methyl-3-oxopent-1-enyl]but-2-enedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.07067 | 148.2 |
[M+Na]+ | 251.05261 | 152.6 |
[M-H]- | 227.05611 | 144.0 |
[M+NH4]+ | 246.09721 | 163.4 |
[M+K]+ | 267.02655 | 151.7 |
[M+H-H2O]+ | 211.06065 | 143.7 |
[M+HCOO]- | 273.06159 | 162.7 |
[M+CH3COO]- | 287.07724 | 183.9 |
[M+Na-2H]- | 249.03806 | 144.5 |
[M]+ | 228.06284 | 146.5 |
[M]- | 228.06394 | 146.5 |
Literature stripe
No literature data available for this compound.