CID 935233
Brn 4258626
Structural Information
- Molecular Formula
- C11H15N3O2S
- SMILES
- CCOC(=O)/C(=C/1\CCCN1CC(=S)N)/C#N
- InChI
- InChI=1S/C11H15N3O2S/c1-2-16-11(15)8(6-12)9-4-3-5-14(9)7-10(13)17/h2-5,7H2,1H3,(H2,13,17)/b9-8+
- InChIKey
- MEMPWKDBMLRADF-CMDGGOBGSA-N
- Compound name
- ethyl (2E)-2-[1-(2-amino-2-sulfanylideneethyl)pyrrolidin-2-ylidene]-2-cyanoacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 254.09578 | 164.0 |
[M+Na]+ | 276.07772 | 170.8 |
[M-H]- | 252.08122 | 165.3 |
[M+NH4]+ | 271.12232 | 179.4 |
[M+K]+ | 292.05166 | 168.3 |
[M+H-H2O]+ | 236.08576 | 150.6 |
[M+HCOO]- | 298.08670 | 174.4 |
[M+CH3COO]- | 312.10235 | 204.8 |
[M+Na-2H]- | 274.06317 | 159.6 |
[M]+ | 253.08795 | 157.7 |
[M]- | 253.08905 | 157.7 |
Literature stripe
Patent stripe
No patent data available for this compound.