CID 18465011
191604-71-4
Structural Information
- Molecular Formula
- C9H11NO2S
- SMILES
- COC(=O)C1=C(C=CC(=C1)N)SC
- InChI
- InChI=1S/C9H11NO2S/c1-12-9(11)7-5-6(10)3-4-8(7)13-2/h3-5H,10H2,1-2H3
- InChIKey
- DHHOOXLPZOZXKF-UHFFFAOYSA-N
- Compound name
- methyl 5-amino-2-methylsulfanylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 198.05834 | 141.3 |
[M+Na]+ | 220.04028 | 152.6 |
[M+NH4]+ | 215.08488 | 149.7 |
[M+K]+ | 236.01422 | 145.3 |
[M-H]- | 196.04378 | 143.6 |
[M+Na-2H]- | 218.02573 | 146.6 |
[M]+ | 197.05051 | 143.9 |
[M]- | 197.05161 | 143.9 |
Literature stripe
No literature data available for this compound.