CID 14082277
Mycinonic acid i
Structural Information
- Molecular Formula
- C8H14O3
- SMILES
- CC[C@H]([C@@H](C)/C=C/C(=O)O)O
- InChI
- InChI=1S/C8H14O3/c1-3-7(9)6(2)4-5-8(10)11/h4-7,9H,3H2,1-2H3,(H,10,11)/b5-4+/t6-,7+/m0/s1
- InChIKey
- SUTQROWYWGRRPW-LYNIJRAASA-N
- Compound name
- (E,4S,5R)-5-hydroxy-4-methylhept-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.10158 | 136.5 |
[M+Na]+ | 181.08352 | 142.0 |
[M-H]- | 157.08702 | 133.8 |
[M+NH4]+ | 176.12812 | 155.9 |
[M+K]+ | 197.05746 | 141.0 |
[M+H-H2O]+ | 141.09156 | 132.1 |
[M+HCOO]- | 203.09250 | 154.7 |
[M+CH3COO]- | 217.10815 | 174.0 |
[M+Na-2H]- | 179.06897 | 137.6 |
[M]+ | 158.09375 | 135.6 |
[M]- | 158.09485 | 135.6 |
Literature stripe
No literature data available for this compound.