CID 164735137
(2r,3ar,5s,6r,7ar)-6-bromo-2-[(z)-1-bromohex-3-en-5-ynyl]-5-ethyl-3,3a,5,6,7,7a-hexahydro-2h-furo[3,2-b]pyran
Structural Information
- Molecular Formula
- C15H20Br2O2
- SMILES
- CC[C@H]1[C@@H](C[C@@H]2[C@H](O1)C[C@@H](O2)C(C/C=C\C#C)Br)Br
- InChI
- InChI=1S/C15H20Br2O2/c1-3-5-6-7-10(16)13-9-15-14(19-13)8-11(17)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10?,11-,12+,13-,14-,15-/m1/s1
- InChIKey
- GJRKLLLBUNEOJO-WWUNOODYSA-N
- Compound name
- (2R,3aR,5S,6R,7aR)-6-bromo-2-[(Z)-1-bromohex-3-en-5-ynyl]-5-ethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 390.99028 | 162.5 |
[M+Na]+ | 412.97222 | 173.6 |
[M-H]- | 388.97572 | 166.1 |
[M+NH4]+ | 408.01682 | 177.3 |
[M+K]+ | 428.94616 | 157.7 |
[M+H-H2O]+ | 372.98026 | 165.0 |
[M+HCOO]- | 434.98120 | 172.1 |
[M+CH3COO]- | 448.99685 | 220.9 |
[M+Na-2H]- | 410.95767 | 164.3 |
[M]+ | 389.98245 | 188.0 |
[M]- | 389.98355 | 188.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.