CID 71316501
Ethionamide sulfoxide
Structural Information
- Molecular Formula
- C8H10N2OS
- SMILES
- CCC1=NC=CC(=C1)C(=S=O)N
- InChI
- InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3
- InChIKey
- QDQQNGZRIJPDGA-UHFFFAOYSA-N
- Compound name
- (2-ethylpyridin-4-yl)-sulfinylmethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.05867 | 137.6 |
[M+Na]+ | 205.04061 | 148.9 |
[M+NH4]+ | 200.08521 | 145.5 |
[M+K]+ | 221.01455 | 141.3 |
[M-H]- | 181.04411 | 139.2 |
[M+Na-2H]- | 203.02606 | 143.1 |
[M]+ | 182.05084 | 139.9 |
[M]- | 182.05194 | 139.9 |
Literature stripe
Patent stripe
No patent data available for this compound.