CID 565648
(5beta,7beta,10beta)-3,11-eudesmadien-2-one
Structural Information
- Molecular Formula
- C15H22O
- SMILES
- CC1=CC(=O)CC2(C1CC(CC2)C(=C)C)C
- InChI
- InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3
- InChIKey
- IVZATFCVCDHOLU-UHFFFAOYSA-N
- Compound name
- 4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 219.17435 | 150.2 |
[M+Na]+ | 241.15629 | 156.5 |
[M-H]- | 217.15979 | 154.1 |
[M+NH4]+ | 236.20089 | 172.1 |
[M+K]+ | 257.13023 | 153.2 |
[M+H-H2O]+ | 201.16433 | 145.2 |
[M+HCOO]- | 263.16527 | 166.4 |
[M+CH3COO]- | 277.18092 | 192.5 |
[M+Na-2H]- | 239.14174 | 152.4 |
[M]+ | 218.16652 | 146.1 |
[M]- | 218.16762 | 146.1 |