CID 135403494
66902-63-4
Structural Information
- Molecular Formula
- C6H7N3O3S
- SMILES
- C1=C(N=C(NC1=O)SCC(=O)O)N
- InChI
- InChI=1S/C6H7N3O3S/c7-3-1-4(10)9-6(8-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H3,7,8,9,10)
- InChIKey
- JIGSQJLRVOGEGH-UHFFFAOYSA-N
- Compound name
- 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.02809 | 139.9 |
[M+Na]+ | 224.01003 | 149.6 |
[M+NH4]+ | 219.05463 | 145.4 |
[M+K]+ | 239.98397 | 144.6 |
[M-H]- | 200.01353 | 138.7 |
[M+Na-2H]- | 221.99548 | 143.1 |
[M]+ | 201.02026 | 140.9 |
[M]- | 201.02136 | 140.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.