CID 23428256
(1r,2s,12z,14s,15r,17s)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadec-12-en-4-one
Structural Information
- Molecular Formula
- C18H28O3
- SMILES
- CC[C@H]1[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C\CCCCCCCC(=O)O1)O3
- InChI
- InChI=1S/C18H28O3/c1-2-15-14-12-16-18(21-16)13(14)10-8-6-4-3-5-7-9-11-17(19)20-15/h8,10,13-16,18H,2-7,9,11-12H2,1H3/b10-8-/t13-,14+,15-,16-,18+/m0/s1
- InChIKey
- LGEIXYGSQMJMKE-RLHIQTTISA-N
- Compound name
- (1R,2S,12Z,14S,15R,17S)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadec-12-en-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 293.21114 | 161.7 |
[M+Na]+ | 315.19308 | 167.9 |
[M-H]- | 291.19658 | 166.6 |
[M+NH4]+ | 310.23768 | 171.2 |
[M+K]+ | 331.16702 | 168.2 |
[M+H-H2O]+ | 275.20112 | 160.4 |
[M+HCOO]- | 337.20206 | 174.5 |
[M+CH3COO]- | 351.21771 | 171.4 |
[M+Na-2H]- | 313.17853 | 163.1 |
[M]+ | 292.20331 | 159.4 |
[M]- | 292.20441 | 159.4 |
Literature stripe
Patent stripe
No patent data available for this compound.