CID 12407500
Ethyl 2-(3-nitropyridin-4-yl)acetate
Structural Information
- Molecular Formula
- C9H10N2O4
- SMILES
- CCOC(=O)CC1=C(C=NC=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C9H10N2O4/c1-2-15-9(12)5-7-3-4-10-6-8(7)11(13)14/h3-4,6H,2,5H2,1H3
- InChIKey
- XNSRNWVUBGIIAW-UHFFFAOYSA-N
- Compound name
- ethyl 2-(3-nitropyridin-4-yl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 211.07134 | 142.6 |
[M+Na]+ | 233.05328 | 149.6 |
[M-H]- | 209.05678 | 145.1 |
[M+NH4]+ | 228.09788 | 159.2 |
[M+K]+ | 249.02722 | 144.7 |
[M+H-H2O]+ | 193.06132 | 140.2 |
[M+HCOO]- | 255.06226 | 166.7 |
[M+CH3COO]- | 269.07791 | 179.6 |
[M+Na-2H]- | 231.03873 | 150.1 |
[M]+ | 210.06351 | 143.5 |
[M]- | 210.06461 | 143.5 |
Literature stripe
No literature data available for this compound.