CID 84324723
1807555-56-1
Structural Information
- Molecular Formula
- C9H17NOS
- SMILES
- CSCCCC(=O)N1CCCC1
- InChI
- InChI=1S/C9H17NOS/c1-12-8-4-5-9(11)10-6-2-3-7-10/h2-8H2,1H3
- InChIKey
- ZZVZMXINDNBVCB-UHFFFAOYSA-N
- Compound name
- 4-methylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 188.11037 | 144.2 |
[M+Na]+ | 210.09231 | 150.0 |
[M-H]- | 186.09581 | 145.8 |
[M+NH4]+ | 205.13691 | 164.9 |
[M+K]+ | 226.06625 | 148.4 |
[M+H-H2O]+ | 170.10035 | 138.0 |
[M+HCOO]- | 232.10129 | 159.5 |
[M+CH3COO]- | 246.11694 | 180.0 |
[M+Na-2H]- | 208.07776 | 143.3 |
[M]+ | 187.10254 | 144.9 |
[M]- | 187.10364 | 144.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.