CID 3257943
4'-hydroxy-5'-isopropyl-2'-methylacetophenone
Structural Information
- Molecular Formula
- C12H16O2
- SMILES
- CC1=CC(=C(C=C1C(=O)C)C(C)C)O
- InChI
- InChI=1S/C12H16O2/c1-7(2)10-6-11(9(4)13)8(3)5-12(10)14/h5-7,14H,1-4H3
- InChIKey
- QGKGQYPODBCZLD-UHFFFAOYSA-N
- Compound name
- 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.12232 | 141.0 |
[M+Na]+ | 215.10426 | 149.3 |
[M-H]- | 191.10776 | 144.0 |
[M+NH4]+ | 210.14886 | 160.7 |
[M+K]+ | 231.07820 | 147.4 |
[M+H-H2O]+ | 175.11230 | 136.0 |
[M+HCOO]- | 237.11324 | 161.8 |
[M+CH3COO]- | 251.12889 | 186.2 |
[M+Na-2H]- | 213.08971 | 142.8 |
[M]+ | 192.11449 | 142.3 |
[M]- | 192.11559 | 142.3 |