CID 3574547
Acetoxymethyl vinyl ketone
Structural Information
- Molecular Formula
- C6H8O3
- SMILES
- CC(=O)OCC(=O)C=C
- InChI
- InChI=1S/C6H8O3/c1-3-6(8)4-9-5(2)7/h3H,1,4H2,2H3
- InChIKey
- GZNCCNHJQSRXNU-UHFFFAOYSA-N
- Compound name
- 2-oxobut-3-enyl acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 129.05463 | 123.2 |
[M+Na]+ | 151.03657 | 131.0 |
[M-H]- | 127.04007 | 123.9 |
[M+NH4]+ | 146.08117 | 145.3 |
[M+K]+ | 167.01051 | 131.3 |
[M+H-H2O]+ | 111.04461 | 119.0 |
[M+HCOO]- | 173.04555 | 146.5 |
[M+CH3COO]- | 187.06120 | 171.4 |
[M+Na-2H]- | 149.02202 | 128.1 |
[M]+ | 128.04680 | 125.5 |
[M]- | 128.04790 | 125.5 |