CID 38750
Ethyl (2,3-dioxo-2,3-dihydro-1h-indol-1-yl)acetate
Structural Information
- Molecular Formula
- C12H11NO4
- SMILES
- CCOC(=O)CN1C2=CC=CC=C2C(=O)C1=O
- InChI
- InChI=1S/C12H11NO4/c1-2-17-10(14)7-13-9-6-4-3-5-8(9)11(15)12(13)16/h3-6H,2,7H2,1H3
- InChIKey
- PTKZJSSZZSMJPS-UHFFFAOYSA-N
- Compound name
- ethyl 2-(2,3-dioxoindol-1-yl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 234.07608 | 148.0 |
[M+Na]+ | 256.05802 | 157.5 |
[M-H]- | 232.06152 | 151.7 |
[M+NH4]+ | 251.10262 | 167.7 |
[M+K]+ | 272.03196 | 155.2 |
[M+H-H2O]+ | 216.06606 | 141.9 |
[M+HCOO]- | 278.06700 | 169.9 |
[M+CH3COO]- | 292.08265 | 190.1 |
[M+Na-2H]- | 254.04347 | 151.3 |
[M]+ | 233.06825 | 151.7 |
[M]- | 233.06935 | 151.7 |