CID 4059880
2,2,8,8-tetramethyl-5-phenyl-nonane-3,7-dione
Structural Information
- Molecular Formula
- C19H28O2
- SMILES
- CC(C)(C)C(=O)CC(CC(=O)C(C)(C)C)C1=CC=CC=C1
- InChI
- InChI=1S/C19H28O2/c1-18(2,3)16(20)12-15(13-17(21)19(4,5)6)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
- InChIKey
- OUFAKYJGILQUSX-UHFFFAOYSA-N
- Compound name
- 2,2,8,8-tetramethyl-5-phenylnonane-3,7-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.21620 | 170.7 |
[M+Na]+ | 311.19814 | 174.8 |
[M-H]- | 287.20164 | 173.5 |
[M+NH4]+ | 306.24274 | 186.5 |
[M+K]+ | 327.17208 | 172.8 |
[M+H-H2O]+ | 271.20618 | 165.0 |
[M+HCOO]- | 333.20712 | 186.8 |
[M+CH3COO]- | 347.22277 | 205.6 |
[M+Na-2H]- | 309.18359 | 172.0 |
[M]+ | 288.20837 | 172.9 |
[M]- | 288.20947 | 172.9 |
Literature stripe
Patent stripe
No patent data available for this compound.