CID 23184281
3-[(phenylsulfanyl)methyl]pyrrolidine
Structural Information
- Molecular Formula
- C11H15NS
- SMILES
- C1CNCC1CSC2=CC=CC=C2
- InChI
- InChI=1S/C11H15NS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12H,6-9H2
- InChIKey
- AYLPIJTVKMODTL-UHFFFAOYSA-N
- Compound name
- 3-(phenylsulfanylmethyl)pyrrolidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 194.09979 | 142.1 |
[M+Na]+ | 216.08173 | 148.4 |
[M-H]- | 192.08523 | 145.7 |
[M+NH4]+ | 211.12633 | 161.8 |
[M+K]+ | 232.05567 | 144.2 |
[M+H-H2O]+ | 176.08977 | 135.5 |
[M+HCOO]- | 238.09071 | 157.7 |
[M+CH3COO]- | 252.10636 | 154.0 |
[M+Na-2H]- | 214.06718 | 143.5 |
[M]+ | 193.09196 | 139.2 |
[M]- | 193.09306 | 139.2 |
Literature stripe
No literature data available for this compound.