CID 69856
769-28-8
Structural Information
- Molecular Formula
- C8H8N2O
- SMILES
- CC1=CC(=C(C(=O)N1)C#N)C
- InChI
- InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
- InChIKey
- OCYMJCILWYHKAU-UHFFFAOYSA-N
- Compound name
- 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.07094 | 128.7 |
[M+Na]+ | 171.05288 | 140.6 |
[M-H]- | 147.05638 | 130.3 |
[M+NH4]+ | 166.09748 | 146.6 |
[M+K]+ | 187.02682 | 137.4 |
[M+H-H2O]+ | 131.06092 | 116.6 |
[M+HCOO]- | 193.06186 | 147.6 |
[M+CH3COO]- | 207.07751 | 187.1 |
[M+Na-2H]- | 169.03833 | 134.4 |
[M]+ | 148.06311 | 123.6 |
[M]- | 148.06421 | 123.6 |