CID 5282197
Plaunotol
Structural Information
- Molecular Formula
- C20H34O2
- SMILES
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/CO)/C)C
- InChI
- InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
- InChIKey
- SUWYPNNPLSRNPS-UNTSEYQFSA-N
- Compound name
- (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.26318 | 185.6 |
[M+Na]+ | 329.24512 | 186.9 |
[M-H]- | 305.24862 | 181.1 |
[M+NH4]+ | 324.28972 | 199.2 |
[M+K]+ | 345.21906 | 181.6 |
[M+H-H2O]+ | 289.25316 | 179.8 |
[M+HCOO]- | 351.25410 | 199.2 |
[M+CH3COO]- | 365.26975 | 205.2 |
[M+Na-2H]- | 327.23057 | 179.3 |
[M]+ | 306.25535 | 185.5 |
[M]- | 306.25645 | 185.5 |