CID 73012596
3-(6-bromopyridin-3-yl)propanoic acid
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- C1=CC(=NC=C1CCC(=O)O)Br
- InChI
- InChI=1S/C8H8BrNO2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H,11,12)
- InChIKey
- VNZWQWJMCMQTJL-UHFFFAOYSA-N
- Compound name
- 3-(6-bromopyridin-3-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 139.8 |
[M+Na]+ | 251.96307 | 142.8 |
[M+NH4]+ | 247.00767 | 143.8 |
[M+K]+ | 267.93701 | 143.5 |
[M-H]- | 227.96657 | 139.1 |
[M+Na-2H]- | 249.94852 | 142.9 |
[M]+ | 228.97330 | 138.7 |
[M]- | 228.97440 | 138.7 |
Literature stripe
No literature data available for this compound.