CID 6472067
Methyl 4-(1-methyl-1h-pyrrol-2-yl)-2,4-dioxobutanoate
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CN1C=CC=C1C(=O)CC(=O)C(=O)OC
- InChI
- InChI=1S/C10H11NO4/c1-11-5-3-4-7(11)8(12)6-9(13)10(14)15-2/h3-5H,6H2,1-2H3
- InChIKey
- VUQQWMLOBDJKKW-UHFFFAOYSA-N
- Compound name
- methyl 4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 145.3 |
[M+Na]+ | 232.05802 | 154.3 |
[M+NH4]+ | 227.10262 | 150.6 |
[M+K]+ | 248.03196 | 153.0 |
[M-H]- | 208.06152 | 143.4 |
[M+Na-2H]- | 230.04347 | 147.8 |
[M]+ | 209.06825 | 145.5 |
[M]- | 209.06935 | 145.5 |