CID 74040486
2065-77-2
Structural Information
- Molecular Formula
- C10H17BrO
- SMILES
- CC1(CC(=O)C(C(C1)(C)C)Br)C
- InChI
- InChI=1S/C10H17BrO/c1-9(2)5-7(12)8(11)10(3,4)6-9/h8H,5-6H2,1-4H3
- InChIKey
- SSUUZZPYKJHKEE-UHFFFAOYSA-N
- Compound name
- 2-bromo-3,3,5,5-tetramethylcyclohexan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 233.05356 | 138.8 |
[M+Na]+ | 255.03550 | 150.8 |
[M-H]- | 231.03900 | 145.6 |
[M+NH4]+ | 250.08010 | 164.9 |
[M+K]+ | 271.00944 | 140.7 |
[M+H-H2O]+ | 215.04354 | 141.7 |
[M+HCOO]- | 277.04448 | 157.0 |
[M+CH3COO]- | 291.06013 | 189.5 |
[M+Na-2H]- | 253.02095 | 145.5 |
[M]+ | 232.04573 | 156.4 |
[M]- | 232.04683 | 156.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.