CID 3008583
92503-44-1
Structural Information
- Molecular Formula
- C8H12N2O3S
- SMILES
- C1=COC(=C1)C(C[N+](=O)[O-])SCCN
- InChI
- InChI=1S/C8H12N2O3S/c9-3-5-14-8(6-10(11)12)7-2-1-4-13-7/h1-2,4,8H,3,5-6,9H2
- InChIKey
- GNCOJMNKQRHHFC-UHFFFAOYSA-N
- Compound name
- 2-[1-(furan-2-yl)-2-nitroethyl]sulfanylethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.06415 | 146.3 |
[M+Na]+ | 239.04609 | 151.5 |
[M-H]- | 215.04959 | 149.9 |
[M+NH4]+ | 234.09069 | 164.1 |
[M+K]+ | 255.02003 | 146.5 |
[M+H-H2O]+ | 199.05413 | 144.5 |
[M+HCOO]- | 261.05507 | 166.3 |
[M+CH3COO]- | 275.07072 | 180.4 |
[M+Na-2H]- | 237.03154 | 150.0 |
[M]+ | 216.05632 | 146.4 |
[M]- | 216.05742 | 146.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.