CID 66545106
3-cyano-1-methyl-1h-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Structural Information
- Molecular Formula
- C10H7N3O2
- SMILES
- CN1C=C(C2=C1N=CC(=C2)C(=O)O)C#N
- InChI
- InChI=1S/C10H7N3O2/c1-13-5-7(3-11)8-2-6(10(14)15)4-12-9(8)13/h2,4-5H,1H3,(H,14,15)
- InChIKey
- CEXOQDQNAQGJNX-UHFFFAOYSA-N
- Compound name
- 3-cyano-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.06111 | 142.9 |
[M+Na]+ | 224.04305 | 155.7 |
[M-H]- | 200.04655 | 143.6 |
[M+NH4]+ | 219.08765 | 159.8 |
[M+K]+ | 240.01699 | 151.1 |
[M+H-H2O]+ | 184.05109 | 129.3 |
[M+HCOO]- | 246.05203 | 160.8 |
[M+CH3COO]- | 260.06768 | 195.1 |
[M+Na-2H]- | 222.02850 | 147.6 |
[M]+ | 201.05328 | 140.2 |
[M]- | 201.05438 | 140.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.