CID 45079394
211940-15-7
Structural Information
- Molecular Formula
- C8H7NS
- SMILES
- C#CC1=NC(=CS1)C2CC2
- InChI
- InChI=1S/C8H7NS/c1-2-8-9-7(5-10-8)6-3-4-6/h1,5-6H,3-4H2
- InChIKey
- AFCVVHDAKGXKJI-UHFFFAOYSA-N
- Compound name
- 4-cyclopropyl-2-ethynyl-1,3-thiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 150.03720 | 127.3 |
[M+Na]+ | 172.01914 | 144.7 |
[M-H]- | 148.02264 | 134.3 |
[M+NH4]+ | 167.06374 | 144.8 |
[M+K]+ | 187.99308 | 137.8 |
[M+H-H2O]+ | 132.02718 | 117.5 |
[M+HCOO]- | 194.02812 | 143.4 |
[M+CH3COO]- | 208.04377 | 141.6 |
[M+Na-2H]- | 170.00459 | 131.1 |
[M]+ | 149.02937 | 127.4 |
[M]- | 149.03047 | 127.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.