CID 718273
8-thia-4,5,6-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Structural Information
- Molecular Formula
- C9H9N3OS
- SMILES
- C1CCC2=C(C1)C3=C(S2)N=NNC3=O
- InChI
- InChI=1S/C9H9N3OS/c13-8-7-5-3-1-2-4-6(5)14-9(7)11-12-10-8/h1-4H2,(H,10,11,13)
- InChIKey
- GTRWBCRNNYLZNQ-UHFFFAOYSA-N
- Compound name
- 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.05391 | 139.5 |
[M+Na]+ | 230.03585 | 151.3 |
[M-H]- | 206.03935 | 140.4 |
[M+NH4]+ | 225.08045 | 158.8 |
[M+K]+ | 246.00979 | 146.2 |
[M+H-H2O]+ | 190.04389 | 133.1 |
[M+HCOO]- | 252.04483 | 153.4 |
[M+CH3COO]- | 266.06048 | 152.3 |
[M+Na-2H]- | 228.02130 | 145.2 |
[M]+ | 207.04608 | 140.4 |
[M]- | 207.04718 | 140.4 |