CID 71756439
2-(3,5-dioxohexyl)-2,3-dihydro-1h-isoindole-1,3-dione
Structural Information
- Molecular Formula
- C14H13NO4
- SMILES
- CC(=O)CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O
- InChI
- InChI=1S/C14H13NO4/c1-9(16)8-10(17)6-7-15-13(18)11-4-2-3-5-12(11)14(15)19/h2-5H,6-8H2,1H3
- InChIKey
- CALZWUSDFAJGRO-UHFFFAOYSA-N
- Compound name
- 2-(3,5-dioxohexyl)isoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 260.09175 | 155.7 |
[M+Na]+ | 282.07369 | 164.3 |
[M-H]- | 258.07719 | 159.1 |
[M+NH4]+ | 277.11829 | 174.1 |
[M+K]+ | 298.04763 | 161.4 |
[M+H-H2O]+ | 242.08173 | 149.5 |
[M+HCOO]- | 304.08267 | 176.1 |
[M+CH3COO]- | 318.09832 | 196.8 |
[M+Na-2H]- | 280.05914 | 156.9 |
[M]+ | 259.08392 | 158.9 |
[M]- | 259.08502 | 158.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.