CID 3053222
Brn 2975082
Structural Information
- Molecular Formula
- C15H18O2
- SMILES
- CC(CO)C1=CC=C(C=C1)C2=CC(=O)CCC2
- InChI
- InChI=1S/C15H18O2/c1-11(10-16)12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h5-9,11,16H,2-4,10H2,1H3
- InChIKey
- RMTOUNTZAKEVRA-UHFFFAOYSA-N
- Compound name
- 3-[4-(1-hydroxypropan-2-yl)phenyl]cyclohex-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.13796 | 152.7 |
[M+Na]+ | 253.11990 | 158.2 |
[M-H]- | 229.12340 | 157.6 |
[M+NH4]+ | 248.16450 | 169.8 |
[M+K]+ | 269.09384 | 154.6 |
[M+H-H2O]+ | 213.12794 | 145.8 |
[M+HCOO]- | 275.12888 | 172.0 |
[M+CH3COO]- | 289.14453 | 189.5 |
[M+Na-2H]- | 251.10535 | 155.1 |
[M]+ | 230.13013 | 149.7 |
[M]- | 230.13123 | 149.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.