CID 167729406
2-bromo-6-methyl-5h,6h,7h-pyrrolo[3,4-b]pyridin-5-one
Structural Information
- Molecular Formula
- C8H7BrN2O
- SMILES
- CN1CC2=C(C1=O)C=CC(=N2)Br
- InChI
- InChI=1S/C8H7BrN2O/c1-11-4-6-5(8(11)12)2-3-7(9)10-6/h2-3H,4H2,1H3
- InChIKey
- SJQPSYWAEHFCEM-UHFFFAOYSA-N
- Compound name
- 2-bromo-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.98146 | 138.9 |
[M+Na]+ | 248.96340 | 153.3 |
[M-H]- | 224.96690 | 144.4 |
[M+NH4]+ | 244.00800 | 161.6 |
[M+K]+ | 264.93734 | 142.5 |
[M+H-H2O]+ | 208.97144 | 139.0 |
[M+HCOO]- | 270.97238 | 158.7 |
[M+CH3COO]- | 284.98803 | 186.3 |
[M+Na-2H]- | 246.94885 | 146.1 |
[M]+ | 225.97363 | 158.2 |
[M]- | 225.97473 | 158.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.