CID 10914199
Z-stellettic acid b
Structural Information
- Molecular Formula
- C20H32O3
- SMILES
- CC(CCCCC=C)CCC/C=C\C#CCC[C@@H](C(=O)O)OC
- InChI
- InChI=1S/C20H32O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22)/b8-7-/t18?,19-/m0/s1
- InChIKey
- KHBWVVURFCWYNT-YAALGORWSA-N
- Compound name
- (2S,7Z)-2-methoxy-12-methyloctadeca-7,17-dien-5-ynoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.24242 | 181.1 |
[M+Na]+ | 343.22436 | 185.5 |
[M-H]- | 319.22786 | 177.8 |
[M+NH4]+ | 338.26896 | 193.3 |
[M+K]+ | 359.19830 | 180.8 |
[M+H-H2O]+ | 303.23240 | 168.9 |
[M+HCOO]- | 365.23334 | 192.5 |
[M+CH3COO]- | 379.24899 | 213.8 |
[M+Na-2H]- | 341.20981 | 176.9 |
[M]+ | 320.23459 | 179.5 |
[M]- | 320.23569 | 179.5 |
Literature stripe
Patent stripe
No patent data available for this compound.