CID 13050105
Ethyl 2-(3-cyanopyridin-2-yl)acetate
Structural Information
- Molecular Formula
- C10H10N2O2
- SMILES
- CCOC(=O)CC1=C(C=CC=N1)C#N
- InChI
- InChI=1S/C10H10N2O2/c1-2-14-10(13)6-9-8(7-11)4-3-5-12-9/h3-5H,2,6H2,1H3
- InChIKey
- TXCFZDPPFKCWNV-UHFFFAOYSA-N
- Compound name
- ethyl 2-(3-cyanopyridin-2-yl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.08151 | 139.2 |
[M+Na]+ | 213.06345 | 148.9 |
[M-H]- | 189.06695 | 141.0 |
[M+NH4]+ | 208.10805 | 155.6 |
[M+K]+ | 229.03739 | 146.7 |
[M+H-H2O]+ | 173.07149 | 125.8 |
[M+HCOO]- | 235.07243 | 158.2 |
[M+CH3COO]- | 249.08808 | 194.7 |
[M+Na-2H]- | 211.04890 | 144.6 |
[M]+ | 190.07368 | 136.3 |
[M]- | 190.07478 | 136.3 |