CID 675983
5-acetyl-2-amino-4-methylthiophene-3-carbonitrile
Structural Information
- Molecular Formula
- C8H8N2OS
- SMILES
- CC1=C(SC(=C1C#N)N)C(=O)C
- InChI
- InChI=1S/C8H8N2OS/c1-4-6(3-9)8(10)12-7(4)5(2)11/h10H2,1-2H3
- InChIKey
- QEDQQHKOQMBSJG-UHFFFAOYSA-N
- Compound name
- 5-acetyl-2-amino-4-methylthiophene-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.04302 | 143.6 |
[M+Na]+ | 203.02496 | 155.2 |
[M-H]- | 179.02846 | 148.0 |
[M+NH4]+ | 198.06956 | 163.9 |
[M+K]+ | 218.99890 | 152.6 |
[M+H-H2O]+ | 163.03300 | 132.0 |
[M+HCOO]- | 225.03394 | 160.0 |
[M+CH3COO]- | 239.04959 | 195.1 |
[M+Na-2H]- | 201.01041 | 142.8 |
[M]+ | 180.03519 | 140.4 |
[M]- | 180.03629 | 140.4 |
Literature stripe
No literature data available for this compound.