CID 16727781
(1s,5r,6s)-5-(2-adamantyl)-3,4,7-trioxabicyclo[4.1.0]heptane
Structural Information
- Molecular Formula
- C14H20O3
- SMILES
- C1[C@H]2[C@H](O2)[C@H](OO1)C3C4CC5CC(C4)CC3C5
- InChI
- InChI=1S/C14H20O3/c1-7-2-9-4-8(1)5-10(3-7)12(9)14-13-11(16-13)6-15-17-14/h7-14H,1-6H2/t7?,8?,9?,10?,11-,12?,13-,14+/m0/s1
- InChIKey
- HUPJLVGSCFQZEL-PHNJOPTPSA-N
- Compound name
- (1S,2R,6S)-2-(2-adamantyl)-3,4,7-trioxabicyclo[4.1.0]heptane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.14853 | 142.1 |
[M+Na]+ | 259.13047 | 145.9 |
[M-H]- | 235.13397 | 143.6 |
[M+NH4]+ | 254.17507 | 156.6 |
[M+K]+ | 275.10441 | 145.8 |
[M+H-H2O]+ | 219.13851 | 133.3 |
[M+HCOO]- | 281.13945 | 142.7 |
[M+CH3COO]- | 295.15510 | 150.7 |
[M+Na-2H]- | 257.11592 | 152.7 |
[M]+ | 236.14070 | 145.0 |
[M]- | 236.14180 | 145.0 |
Literature stripe
Patent stripe
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