CID 156621079
1-(ethylsulfanyl)-3-isocyanopropane
Structural Information
- Molecular Formula
- C6H11NS
- SMILES
- CCSCCC[N+]#[C-]
- InChI
- InChI=1S/C6H11NS/c1-3-8-6-4-5-7-2/h3-6H2,1H3
- InChIKey
- SCFIJGATBQDJLQ-UHFFFAOYSA-N
- Compound name
- 1-ethylsulfanyl-3-isocyanopropane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 130.06850 | 120.1 |
[M+Na]+ | 152.05044 | 131.9 |
[M+NH4]+ | 147.09504 | 126.5 |
[M+K]+ | 168.02438 | 122.6 |
[M-H]- | 128.05394 | 115.0 |
[M+Na-2H]- | 150.03589 | 122.5 |
[M]+ | 129.06067 | 119.9 |
[M]- | 129.06177 | 119.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.