CID 56936212
2-hydroxy-2-methylheptan-4-one
Structural Information
- Molecular Formula
- C8H16O2
- SMILES
- CCCC(=O)CC(C)(C)O
- InChI
- InChI=1S/C8H16O2/c1-4-5-7(9)6-8(2,3)10/h10H,4-6H2,1-3H3
- InChIKey
- SLBRLDSZDNWJSU-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-2-methylheptan-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 145.12232 | 133.1 |
[M+Na]+ | 167.10426 | 139.6 |
[M-H]- | 143.10776 | 132.0 |
[M+NH4]+ | 162.14886 | 154.2 |
[M+K]+ | 183.07820 | 139.2 |
[M+H-H2O]+ | 127.11230 | 129.3 |
[M+HCOO]- | 189.11324 | 152.9 |
[M+CH3COO]- | 203.12889 | 174.7 |
[M+Na-2H]- | 165.08971 | 138.1 |
[M]+ | 144.11449 | 134.3 |
[M]- | 144.11559 | 134.3 |