CID 1419129
7338-78-5
Structural Information
- Molecular Formula
- C6H7N3O3S
- SMILES
- C(CC(=O)O)C1=NNC(=S)NC1=O
- InChI
- InChI=1S/C6H7N3O3S/c10-4(11)2-1-3-5(12)7-6(13)9-8-3/h1-2H2,(H,10,11)(H2,7,9,12,13)
- InChIKey
- YWUNWMADAOHUTF-UHFFFAOYSA-N
- Compound name
- 3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.02809 | 141.4 |
[M+Na]+ | 224.01003 | 152.0 |
[M+NH4]+ | 219.05463 | 146.1 |
[M+K]+ | 239.98397 | 146.7 |
[M-H]- | 200.01353 | 138.5 |
[M+Na-2H]- | 221.99548 | 144.0 |
[M]+ | 201.02026 | 142.1 |
[M]- | 201.02136 | 142.1 |