CID 13129932
5-hydroxy-2,4-dimethylpent-1-en-3-one
Structural Information
- Molecular Formula
- C7H12O2
- SMILES
- CC(CO)C(=O)C(=C)C
- InChI
- InChI=1S/C7H12O2/c1-5(2)7(9)6(3)4-8/h6,8H,1,4H2,2-3H3
- InChIKey
- OGUAQTDZTVYRGM-UHFFFAOYSA-N
- Compound name
- 5-hydroxy-2,4-dimethylpent-1-en-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 129.09100 | 127.6 |
[M+Na]+ | 151.07294 | 133.9 |
[M-H]- | 127.07644 | 126.6 |
[M+NH4]+ | 146.11754 | 148.9 |
[M+K]+ | 167.04688 | 133.6 |
[M+H-H2O]+ | 111.08098 | 123.5 |
[M+HCOO]- | 173.08192 | 147.5 |
[M+CH3COO]- | 187.09757 | 172.2 |
[M+Na-2H]- | 149.05839 | 129.9 |
[M]+ | 128.08317 | 126.9 |
[M]- | 128.08427 | 126.9 |
Literature stripe
No literature data available for this compound.