CID 3032910
11,13-dihydrohelenalin
Structural Information
- Molecular Formula
- C15H20O4
- SMILES
- C[C@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)O
- InChI
- InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8-,9-,10+,12+,13-,15-/m0/s1
- InChIKey
- ICKWITMQEROMDG-MIYBGKPYSA-N
- Compound name
- (1S,3aR,5S,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.14345 | 157.2 |
[M+Na]+ | 287.12539 | 165.2 |
[M-H]- | 263.12889 | 163.7 |
[M+NH4]+ | 282.16999 | 178.9 |
[M+K]+ | 303.09933 | 164.6 |
[M+H-H2O]+ | 247.13343 | 155.2 |
[M+HCOO]- | 309.13437 | 173.0 |
[M+CH3COO]- | 323.15002 | 198.0 |
[M+Na-2H]- | 285.11084 | 157.5 |
[M]+ | 264.13562 | 155.1 |
[M]- | 264.13672 | 155.1 |