CID 642508
2-hydroxy-4,5,6-trimethylnicotinonitrile
Structural Information
- Molecular Formula
- C9H10N2O
- SMILES
- CC1=C(NC(=O)C(=C1C)C#N)C
- InChI
- InChI=1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12)
- InChIKey
- ATHBJRFQFOFPLV-UHFFFAOYSA-N
- Compound name
- 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.08660 | 132.1 |
[M+Na]+ | 185.06854 | 144.4 |
[M-H]- | 161.07204 | 133.9 |
[M+NH4]+ | 180.11314 | 149.9 |
[M+K]+ | 201.04248 | 141.2 |
[M+H-H2O]+ | 145.07658 | 120.2 |
[M+HCOO]- | 207.07752 | 150.8 |
[M+CH3COO]- | 221.09317 | 190.9 |
[M+Na-2H]- | 183.05399 | 136.8 |
[M]+ | 162.07877 | 127.7 |
[M]- | 162.07987 | 127.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.