CID 11658348
496863-48-0
Structural Information
- Molecular Formula
- C7H8N2OS
- SMILES
- CC(=O)C1=NC(=NC=C1)SC
- InChI
- InChI=1S/C7H8N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-4H,1-2H3
- InChIKey
- WXQMROLQWGTVBM-UHFFFAOYSA-N
- Compound name
- 1-(2-methylsulfanylpyrimidin-4-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.04302 | 133.9 |
[M+Na]+ | 191.02496 | 146.8 |
[M+NH4]+ | 186.06956 | 142.1 |
[M+K]+ | 206.99890 | 139.0 |
[M-H]- | 167.02846 | 135.0 |
[M+Na-2H]- | 189.01041 | 140.1 |
[M]+ | 168.03519 | 136.4 |
[M]- | 168.03629 | 136.4 |
Literature stripe
No literature data available for this compound.