CID 84580
Ethyl 5-bromovalerate
Structural Information
- Molecular Formula
- C7H13BrO2
- SMILES
- CCOC(=O)CCCCBr
- InChI
- InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
- InChIKey
- AFRWBGJRWRHQOV-UHFFFAOYSA-N
- Compound name
- ethyl 5-bromopentanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.01717 | 139.0 |
[M+Na]+ | 230.99911 | 149.4 |
[M-H]- | 207.00261 | 141.9 |
[M+NH4]+ | 226.04371 | 161.5 |
[M+K]+ | 246.97305 | 139.8 |
[M+H-H2O]+ | 191.00715 | 139.5 |
[M+HCOO]- | 253.00809 | 159.6 |
[M+CH3COO]- | 267.02374 | 183.9 |
[M+Na-2H]- | 228.98456 | 145.3 |
[M]+ | 208.00934 | 160.3 |
[M]- | 208.01044 | 160.3 |