CID 136946
1206-79-7
Structural Information
- Molecular Formula
- C15H18
- SMILES
- C1CC2=C3CCCC3=C4CCCC4=C2C1
- InChI
- InChI=1S/C15H18/c1-4-10-11(5-1)13-7-3-9-15(13)14-8-2-6-12(10)14/h1-9H2
- InChIKey
- KVUKOIJTLDNDDB-UHFFFAOYSA-N
- Compound name
- 2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.14813 | 148.6 |
[M+Na]+ | 221.13007 | 156.2 |
[M-H]- | 197.13357 | 154.8 |
[M+NH4]+ | 216.17467 | 176.2 |
[M+K]+ | 237.10401 | 151.5 |
[M+H-H2O]+ | 181.13811 | 144.3 |
[M+HCOO]- | 243.13905 | 168.6 |
[M+CH3COO]- | 257.15470 | 161.8 |
[M+Na-2H]- | 219.11552 | 149.3 |
[M]+ | 198.14030 | 145.7 |
[M]- | 198.14140 | 145.7 |