CID 94870
Diffractaic acid
Structural Information
- Molecular Formula
- C20H22O7
- SMILES
- CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC
- InChI
- InChI=1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23)
- InChIKey
- MIJKZXWOOXIEEU-UHFFFAOYSA-N
- Compound name
- 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 375.14385 | 182.4 |
[M+Na]+ | 397.12579 | 191.7 |
[M-H]- | 373.12929 | 188.1 |
[M+NH4]+ | 392.17039 | 194.2 |
[M+K]+ | 413.09973 | 190.2 |
[M+H-H2O]+ | 357.13383 | 175.1 |
[M+HCOO]- | 419.13477 | 201.3 |
[M+CH3COO]- | 433.15042 | 219.9 |
[M+Na-2H]- | 395.11124 | 179.1 |
[M]+ | 374.13602 | 190.6 |
[M]- | 374.13712 | 190.6 |