CID 4220682
Tricyclo(14.2.2.2(3,6))docosa-1(19),3(22),4,6(21),16(20),17-hexaene
Structural Information
- Molecular Formula
- C22H28
- SMILES
- C1CCCCC2=CC=C(CC3=CC=C(CCCC1)C=C3)C=C2
- InChI
- InChI=1S/C22H28/c1-2-4-6-8-19-10-14-21(15-11-19)18-22-16-12-20(13-17-22)9-7-5-3-1/h10-17H,1-9,18H2
- InChIKey
- SYHWDGVHTBCZLI-UHFFFAOYSA-N
- Compound name
- tricyclo[14.2.2.23,6]docosa-1(18),3(22),4,6(21),16,19-hexaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 293.22638 | 184.1 |
[M+Na]+ | 315.20832 | 177.2 |
[M-H]- | 291.21182 | 163.8 |
[M+NH4]+ | 310.25292 | 197.5 |
[M+K]+ | 331.18226 | 176.9 |
[M+H-H2O]+ | 275.21636 | 182.9 |
[M+HCOO]- | 337.21730 | 179.7 |
[M+CH3COO]- | 351.23295 | 182.8 |
[M+Na-2H]- | 313.19377 | 190.8 |
[M]+ | 292.21855 | 178.5 |
[M]- | 292.21965 | 178.5 |
Literature stripe
Patent stripe
No patent data available for this compound.