CID 70968
1-(5-methyl-2-furanyl)-1,2-propanedione
Structural Information
- Molecular Formula
- C8H8O3
- SMILES
- CC1=CC=C(O1)C(=O)C(=O)C
- InChI
- InChI=1S/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3
- InChIKey
- CSILYJHAPLAXTQ-UHFFFAOYSA-N
- Compound name
- 1-(5-methylfuran-2-yl)propane-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.05463 | 128.3 |
[M+Na]+ | 175.03657 | 137.0 |
[M-H]- | 151.04007 | 133.2 |
[M+NH4]+ | 170.08117 | 150.0 |
[M+K]+ | 191.01051 | 137.7 |
[M+H-H2O]+ | 135.04461 | 123.6 |
[M+HCOO]- | 197.04555 | 152.1 |
[M+CH3COO]- | 211.06120 | 175.5 |
[M+Na-2H]- | 173.02202 | 132.7 |
[M]+ | 152.04680 | 131.2 |
[M]- | 152.04790 | 131.2 |
Literature stripe
No literature data available for this compound.