CID 91619863
5-acetyl-2-methylfuran-3-carboxylic acid
Structural Information
- Molecular Formula
- C8H8O4
- SMILES
- CC1=C(C=C(O1)C(=O)C)C(=O)O
- InChI
- InChI=1S/C8H8O4/c1-4(9)7-3-6(8(10)11)5(2)12-7/h3H,1-2H3,(H,10,11)
- InChIKey
- LIKOFZUZYLUNET-UHFFFAOYSA-N
- Compound name
- 5-acetyl-2-methylfuran-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.04953 | 131.0 |
[M+Na]+ | 191.03147 | 140.1 |
[M-H]- | 167.03497 | 134.9 |
[M+NH4]+ | 186.07607 | 151.6 |
[M+K]+ | 207.00541 | 140.4 |
[M+H-H2O]+ | 151.03951 | 126.7 |
[M+HCOO]- | 213.04045 | 153.5 |
[M+CH3COO]- | 227.05610 | 176.2 |
[M+Na-2H]- | 189.01692 | 134.4 |
[M]+ | 168.04170 | 133.9 |
[M]- | 168.04280 | 133.9 |
Literature stripe
Patent stripe
No patent data available for this compound.