CID 3064073
Brn 2132917
Structural Information
- Molecular Formula
- C14H16O4
- SMILES
- CC1=C(C(=O)C(=C(C1=O)C)C(C(=O)C)C(=O)C)C
- InChI
- InChI=1S/C14H16O4/c1-6-7(2)14(18)11(8(3)13(6)17)12(9(4)15)10(5)16/h12H,1-5H3
- InChIKey
- QVOZIORCXZEETA-UHFFFAOYSA-N
- Compound name
- 2-(2,4-dioxopentan-3-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 249.11214 | 148.1 |
[M+Na]+ | 271.09408 | 157.3 |
[M-H]- | 247.09758 | 152.7 |
[M+NH4]+ | 266.13868 | 166.3 |
[M+K]+ | 287.06802 | 156.0 |
[M+H-H2O]+ | 231.10212 | 143.2 |
[M+HCOO]- | 293.10306 | 168.4 |
[M+CH3COO]- | 307.11871 | 200.3 |
[M+Na-2H]- | 269.07953 | 146.5 |
[M]+ | 248.10431 | 151.7 |
[M]- | 248.10541 | 151.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.