CID 54678723
24683-21-4
Structural Information
- Molecular Formula
- C11H11NO5S
- SMILES
- CCOC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O
- InChI
- InChI=1S/C11H11NO5S/c1-2-17-11(14)9-10(13)7-5-3-4-6-8(7)18(15,16)12-9/h3-6,12-13H,2H2,1H3
- InChIKey
- KHQMRIBGVBXDMI-UHFFFAOYSA-N
- Compound name
- ethyl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.04308 | 153.0 |
[M+Na]+ | 292.02502 | 162.5 |
[M-H]- | 268.02852 | 154.0 |
[M+NH4]+ | 287.06962 | 170.4 |
[M+K]+ | 307.99896 | 158.8 |
[M+H-H2O]+ | 252.03306 | 147.7 |
[M+HCOO]- | 314.03400 | 166.3 |
[M+CH3COO]- | 328.04965 | 188.2 |
[M+Na-2H]- | 290.01047 | 157.6 |
[M]+ | 269.03525 | 156.2 |
[M]- | 269.03635 | 156.2 |