CID 90658435
Neopentalenolactone f
Structural Information
- Molecular Formula
- C15H18O5
- SMILES
- CC1(CC2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)OC(=O)C3)C(=O)O)C
- InChI
- InChI=1S/C15H18O5/c1-13(2)5-8-3-9(12(17)18)10-4-11(16)20-15(7-19-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,17,18)/t8?,10-,14+,15+/m0/s1
- InChIKey
- YWHKSSBMSXJUIW-RCVHVDPASA-N
- Compound name
- (1S,4aR,9aR)-8,8-dimethyl-3-oxospiro[4a,6a,7,9-tetrahydro-4H-pentaleno[6a,1-c]pyran-1,2'-oxirane]-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.12270 | 158.0 |
[M+Na]+ | 301.10464 | 168.6 |
[M-H]- | 277.10814 | 166.9 |
[M+NH4]+ | 296.14924 | 177.2 |
[M+K]+ | 317.07858 | 168.2 |
[M+H-H2O]+ | 261.11268 | 156.7 |
[M+HCOO]- | 323.11362 | 171.0 |
[M+CH3COO]- | 337.12927 | 170.6 |
[M+Na-2H]- | 299.09009 | 162.8 |
[M]+ | 278.11487 | 163.0 |
[M]- | 278.11597 | 163.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.