CID 13821159
Tert-butyl 2-bromo-3-methylbutanoate
Structural Information
- Molecular Formula
- C9H17BrO2
- SMILES
- CC(C)C(C(=O)OC(C)(C)C)Br
- InChI
- InChI=1S/C9H17BrO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,1-5H3
- InChIKey
- KNIZFFZJAVQDNV-UHFFFAOYSA-N
- Compound name
- tert-butyl 2-bromo-3-methylbutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.04846 | 148.6 |
[M+Na]+ | 259.03040 | 158.3 |
[M-H]- | 235.03390 | 151.7 |
[M+NH4]+ | 254.07500 | 170.2 |
[M+K]+ | 275.00434 | 149.3 |
[M+H-H2O]+ | 219.03844 | 149.5 |
[M+HCOO]- | 281.03938 | 165.3 |
[M+CH3COO]- | 295.05503 | 190.8 |
[M+Na-2H]- | 257.01585 | 152.2 |
[M]+ | 236.04063 | 168.8 |
[M]- | 236.04173 | 168.8 |
Literature stripe
No literature data available for this compound.