CID 5150735
3-phenylpropanethioamide
Structural Information
- Molecular Formula
- C9H11NS
- SMILES
- C1=CC=C(C=C1)CCC(=S)N
- InChI
- InChI=1S/C9H11NS/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
- InChIKey
- LDFXFTLANQXFQF-UHFFFAOYSA-N
- Compound name
- 3-phenylpropanethioamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 166.06850 | 133.8 |
[M+Na]+ | 188.05044 | 140.7 |
[M-H]- | 164.05394 | 137.0 |
[M+NH4]+ | 183.09504 | 154.3 |
[M+K]+ | 204.02438 | 137.1 |
[M+H-H2O]+ | 148.05848 | 127.9 |
[M+HCOO]- | 210.05942 | 152.5 |
[M+CH3COO]- | 224.07507 | 179.3 |
[M+Na-2H]- | 186.03589 | 136.8 |
[M]+ | 165.06067 | 132.8 |
[M]- | 165.06177 | 132.8 |