CID 403666
7-methoxy-1,4-benzothiazin-3(4h)-one
Structural Information
- Molecular Formula
- C9H9NO2S
- SMILES
- COC1=CC2=C(C=C1)NC(=O)CS2
- InChI
- InChI=1S/C9H9NO2S/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
- InChIKey
- ZITGVVWIRFDIBZ-UHFFFAOYSA-N
- Compound name
- 7-methoxy-4H-1,4-benzothiazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.04268 | 136.9 |
[M+Na]+ | 218.02462 | 145.6 |
[M-H]- | 194.02812 | 138.9 |
[M+NH4]+ | 213.06922 | 156.2 |
[M+K]+ | 233.99856 | 141.9 |
[M+H-H2O]+ | 178.03266 | 131.2 |
[M+HCOO]- | 240.03360 | 151.3 |
[M+CH3COO]- | 254.04925 | 178.8 |
[M+Na-2H]- | 216.01007 | 141.8 |
[M]+ | 195.03485 | 136.8 |
[M]- | 195.03595 | 136.8 |