CID 255159
Ethyl 3-oxo-3-(thiophen-2-yl)propanoate
Structural Information
- Molecular Formula
- C9H10O3S
- SMILES
- CCOC(=O)CC(=O)C1=CC=CS1
- InChI
- InChI=1S/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
- InChIKey
- VKSDKUXHVLZDHO-UHFFFAOYSA-N
- Compound name
- ethyl 3-oxo-3-thiophen-2-ylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.04234 | 143.5 |
[M+Na]+ | 221.02428 | 151.1 |
[M-H]- | 197.02778 | 147.5 |
[M+NH4]+ | 216.06888 | 165.0 |
[M+K]+ | 236.99822 | 149.8 |
[M+H-H2O]+ | 181.03232 | 138.1 |
[M+HCOO]- | 243.03326 | 162.5 |
[M+CH3COO]- | 257.04891 | 180.5 |
[M+Na-2H]- | 219.00973 | 143.7 |
[M]+ | 198.03451 | 148.0 |
[M]- | 198.03561 | 148.0 |