CID 5469812
Triangulyne c
Structural Information
- Molecular Formula
- C31H44O3
- SMILES
- C#C[C@@H](/C=C/CCCCCCCC/C=C\CCCCCCCC[C@@H](C#CC#CC#CCO)O)O
- InChI
- InChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2/b6-4-,26-22+/t30-,31-/m0/s1
- InChIKey
- RYOORYDDTFATPC-XOERQBCYSA-N
- Compound name
- (8S,17Z,27E,29R)-hentriaconta-17,27-dien-2,4,6,30-tetrayne-1,8,29-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 465.33632 | 176.3 |
[M+Na]+ | 487.31826 | 180.3 |
[M-H]- | 463.32176 | 178.9 |
[M+NH4]+ | 482.36286 | 178.5 |
[M+K]+ | 503.29220 | 176.9 |
[M+H-H2O]+ | 447.32630 | 168.9 |
[M+HCOO]- | 509.32724 | 175.1 |
[M+CH3COO]- | 523.34289 | 250.4 |
[M+Na-2H]- | 485.30371 | 171.7 |
[M]+ | 464.32849 | 171.9 |
[M]- | 464.32959 | 171.9 |
Literature stripe
Patent stripe
No patent data available for this compound.