CID 8446
2-methylbenzothiazole
Structural Information
- Molecular Formula
- C8H7NS
- SMILES
- CC1=NC2=CC=CC=C2S1
- InChI
- InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
- InChIKey
- DXYYSGDWQCSKKO-UHFFFAOYSA-N
- Compound name
- 2-methyl-1,3-benzothiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 150.03720 | 126.1 |
[M+Na]+ | 172.01914 | 140.9 |
[M+NH4]+ | 167.06374 | 137.2 |
[M+K]+ | 187.99308 | 132.9 |
[M-H]- | 148.02264 | 129.5 |
[M+Na-2H]- | 170.00459 | 134.1 |
[M]+ | 149.02937 | 129.9 |
[M]- | 149.03047 | 129.9 |