CID 3056601
73812-21-2
Structural Information
- Molecular Formula
- C13H13NOS
- SMILES
- C1=CC=C(C=C1)CC(C2=CSC=C2)C(=O)N
- InChI
- InChI=1S/C13H13NOS/c14-13(15)12(11-6-7-16-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,14,15)
- InChIKey
- ICXBUDKIJVIGKR-UHFFFAOYSA-N
- Compound name
- 3-phenyl-2-thiophen-3-ylpropanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 232.07908 | 152.7 |
[M+Na]+ | 254.06102 | 159.0 |
[M-H]- | 230.06452 | 159.0 |
[M+NH4]+ | 249.10562 | 171.9 |
[M+K]+ | 270.03496 | 155.2 |
[M+H-H2O]+ | 214.06906 | 145.9 |
[M+HCOO]- | 276.07000 | 171.8 |
[M+CH3COO]- | 290.08565 | 189.8 |
[M+Na-2H]- | 252.04647 | 152.8 |
[M]+ | 231.07125 | 152.4 |
[M]- | 231.07235 | 152.4 |
Literature stripe
No literature data available for this compound.