CID 912122
2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
Structural Information
- Molecular Formula
- C8H6N2O4S
- SMILES
- C1=COC(=C1)C2=NN=C(O2)SCC(=O)O
- InChI
- InChI=1S/C8H6N2O4S/c11-6(12)4-15-8-10-9-7(14-8)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
- InChIKey
- WMMOVVYXIVGNHJ-UHFFFAOYSA-N
- Compound name
- 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.01210 | 143.5 |
[M+Na]+ | 248.99404 | 154.6 |
[M-H]- | 224.99754 | 149.4 |
[M+NH4]+ | 244.03864 | 159.9 |
[M+K]+ | 264.96798 | 154.7 |
[M+H-H2O]+ | 209.00208 | 137.8 |
[M+HCOO]- | 271.00302 | 162.3 |
[M+CH3COO]- | 285.01867 | 180.3 |
[M+Na-2H]- | 246.97949 | 146.2 |
[M]+ | 226.00427 | 150.8 |
[M]- | 226.00537 | 150.8 |
Literature stripe
Patent stripe
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