CID 519448
1755-15-3
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC(=O)C1C(=O)CC(CC1=O)(C)C
- InChI
- InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3
- InChIKey
- ITSKWKZDPHAQNK-UHFFFAOYSA-N
- Compound name
- 2-acetyl-5,5-dimethylcyclohexane-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 139.3 |
[M+Na]+ | 205.08352 | 149.9 |
[M+NH4]+ | 200.12812 | 148.0 |
[M+K]+ | 221.05746 | 143.3 |
[M-H]- | 181.08702 | 139.8 |
[M+Na-2H]- | 203.06897 | 144.0 |
[M]+ | 182.09375 | 140.8 |
[M]- | 182.09485 | 140.8 |