CID 14589063
Isoamberboin
Structural Information
- Molecular Formula
- C15H20O4
- SMILES
- CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3C)O
- InChI
- InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3
- InChIKey
- ZAPNUFCAIXITRW-UHFFFAOYSA-N
- Compound name
- 4-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.14345 | 158.3 |
[M+Na]+ | 287.12539 | 165.3 |
[M-H]- | 263.12889 | 164.5 |
[M+NH4]+ | 282.16999 | 178.1 |
[M+K]+ | 303.09933 | 164.8 |
[M+H-H2O]+ | 247.13343 | 156.3 |
[M+HCOO]- | 309.13437 | 172.9 |
[M+CH3COO]- | 323.15002 | 199.4 |
[M+Na-2H]- | 285.11084 | 155.9 |
[M]+ | 264.13562 | 154.2 |
[M]- | 264.13672 | 154.2 |