CID 155017
68151-08-6
Structural Information
- Molecular Formula
- C20H20O
- SMILES
- C1CC2=C3C(=C4CCCC(=O)C4=C5C3=C(CCC5)C=C2)C1
- InChI
- InChI=1S/C20H20O/c21-17-9-3-7-15-14-6-1-4-12-10-11-13-5-2-8-16(20(15)17)19(13)18(12)14/h10-11H,1-9H2
- InChIKey
- UIJOUFUKJPLQEK-UHFFFAOYSA-N
- Compound name
- 2,3,6,7,8,10,11,12-octahydro-1H-benzo[e]pyren-9-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.15871 | 161.2 |
[M+Na]+ | 299.14065 | 166.1 |
[M-H]- | 275.14415 | 165.1 |
[M+NH4]+ | 294.18525 | 181.0 |
[M+K]+ | 315.11459 | 159.8 |
[M+H-H2O]+ | 259.14869 | 152.2 |
[M+HCOO]- | 321.14963 | 172.3 |
[M+CH3COO]- | 335.16528 | 170.8 |
[M+Na-2H]- | 297.12610 | 167.0 |
[M]+ | 276.15088 | 156.2 |
[M]- | 276.15198 | 156.2 |
Literature stripe
No literature data available for this compound.