CID 56936048
R-cucujolide v
Structural Information
- Molecular Formula
- C14H22O2
- SMILES
- C[C@@H]1CCC/C=C\C/C=C\CCCC(=O)O1
- InChI
- InChI=1S/C14H22O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h3-6,13H,2,7-12H2,1H3/b5-3-,6-4-/t13-/m1/s1
- InChIKey
- JSZKXZJGTWVDOI-LPFHBXDTSA-N
- Compound name
- (6Z,9Z,14R)-14-methyl-1-oxacyclotetradeca-6,9-dien-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.16927 | 149.4 |
[M+Na]+ | 245.15121 | 153.4 |
[M-H]- | 221.15471 | 151.3 |
[M+NH4]+ | 240.19581 | 163.3 |
[M+K]+ | 261.12515 | 153.5 |
[M+H-H2O]+ | 205.15925 | 146.7 |
[M+HCOO]- | 267.16019 | 167.1 |
[M+CH3COO]- | 281.17584 | 181.1 |
[M+Na-2H]- | 243.13666 | 152.6 |
[M]+ | 222.16144 | 142.1 |
[M]- | 222.16254 | 142.1 |
Literature stripe
Patent stripe
No patent data available for this compound.