CID 10039032
1-phenyl-1,3-dodecanedione
Structural Information
- Molecular Formula
- C18H26O2
- SMILES
- CCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C18H26O2/c1-2-3-4-5-6-7-11-14-17(19)15-18(20)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
- InChIKey
- DNOUOXHKVWWDSS-UHFFFAOYSA-N
- Compound name
- 1-phenyldodecane-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.20055 | 170.3 |
[M+Na]+ | 297.18249 | 173.8 |
[M-H]- | 273.18599 | 172.3 |
[M+NH4]+ | 292.22709 | 186.1 |
[M+K]+ | 313.15643 | 170.4 |
[M+H-H2O]+ | 257.19053 | 162.9 |
[M+HCOO]- | 319.19147 | 190.6 |
[M+CH3COO]- | 333.20712 | 202.4 |
[M+Na-2H]- | 295.16794 | 171.0 |
[M]+ | 274.19272 | 173.6 |
[M]- | 274.19382 | 173.6 |
Literature stripe
No literature data available for this compound.