CID 51828
73599-95-8
Structural Information
- Molecular Formula
- C14H21BrO2
- SMILES
- CCOCC(=O)C12CC3CC(C1)CC(C3)(C2)Br
- InChI
- InChI=1S/C14H21BrO2/c1-2-17-8-12(16)13-4-10-3-11(5-13)7-14(15,6-10)9-13/h10-11H,2-9H2,1H3
- InChIKey
- XHMJLHVKBLAQLN-UHFFFAOYSA-N
- Compound name
- 1-(3-bromo-1-adamantyl)-2-ethoxyethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 301.07976 | 168.2 |
[M+Na]+ | 323.06170 | 173.4 |
[M-H]- | 299.06520 | 166.2 |
[M+NH4]+ | 318.10630 | 194.8 |
[M+K]+ | 339.03564 | 163.4 |
[M+H-H2O]+ | 283.06974 | 168.0 |
[M+HCOO]- | 345.07068 | 172.7 |
[M+CH3COO]- | 359.08633 | 177.7 |
[M+Na-2H]- | 321.04715 | 178.2 |
[M]+ | 300.07193 | 187.5 |
[M]- | 300.07303 | 187.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.