CID 11615204
6-hydroxy-4,6-dimethyl-3-hepten-2-one
Structural Information
- Molecular Formula
- C9H16O2
- SMILES
- C/C(=C/C(=O)C)/CC(C)(C)O
- InChI
- InChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3,4)11/h5,11H,6H2,1-4H3/b7-5-
- InChIKey
- OAHJSCYHJQJALB-ALCCZGGFSA-N
- Compound name
- (Z)-6-hydroxy-4,6-dimethylhept-3-en-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.12232 | 135.8 |
[M+Na]+ | 179.10426 | 142.1 |
[M-H]- | 155.10776 | 134.8 |
[M+NH4]+ | 174.14886 | 156.4 |
[M+K]+ | 195.07820 | 141.3 |
[M+H-H2O]+ | 139.11230 | 132.1 |
[M+HCOO]- | 201.11324 | 154.6 |
[M+CH3COO]- | 215.12889 | 176.9 |
[M+Na-2H]- | 177.08971 | 139.2 |
[M]+ | 156.11449 | 136.0 |
[M]- | 156.11559 | 136.0 |
Literature stripe
No literature data available for this compound.