CID 19699469
55876-84-1
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- COC(=O)C1=NC=C(C=C1)CBr
- InChI
- InChI=1S/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4H2,1H3
- InChIKey
- SIMKVUKTEMRUSF-UHFFFAOYSA-N
- Compound name
- methyl 5-(bromomethyl)pyridine-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 138.7 |
[M+Na]+ | 251.96307 | 142.3 |
[M+NH4]+ | 247.00767 | 143.0 |
[M+K]+ | 267.93701 | 142.7 |
[M-H]- | 227.96657 | 138.4 |
[M+Na-2H]- | 249.94852 | 142.4 |
[M]+ | 228.97330 | 137.9 |
[M]- | 228.97440 | 137.9 |