CID 9812783
5-hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one
Structural Information
- Molecular Formula
- C6H8O3
- SMILES
- CC1=CC(OC1=O)(C)O
- InChI
- InChI=1S/C6H8O3/c1-4-3-6(2,8)9-5(4)7/h3,8H,1-2H3
- InChIKey
- KMHXBSBEAHDUGB-UHFFFAOYSA-N
- Compound name
- 5-hydroxy-3,5-dimethylfuran-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 129.05463 | 119.4 |
[M+Na]+ | 151.03657 | 129.7 |
[M-H]- | 127.04007 | 123.4 |
[M+NH4]+ | 146.08117 | 143.9 |
[M+K]+ | 167.01051 | 130.0 |
[M+H-H2O]+ | 111.04461 | 116.5 |
[M+HCOO]- | 173.04555 | 142.8 |
[M+CH3COO]- | 187.06120 | 167.0 |
[M+Na-2H]- | 149.02202 | 126.8 |
[M]+ | 128.04680 | 121.0 |
[M]- | 128.04790 | 121.0 |