CID 12707653
N-methyl-2-(methylsulfanyl)aniline
Structural Information
- Molecular Formula
- C8H11NS
- SMILES
- CNC1=CC=CC=C1SC
- InChI
- InChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
- InChIKey
- PACLFTSARPNRHD-UHFFFAOYSA-N
- Compound name
- N-methyl-2-methylsulfanylaniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 154.06850 | 128.8 |
[M+Na]+ | 176.05044 | 137.0 |
[M-H]- | 152.05394 | 133.0 |
[M+NH4]+ | 171.09504 | 150.5 |
[M+K]+ | 192.02438 | 134.2 |
[M+H-H2O]+ | 136.05848 | 123.2 |
[M+HCOO]- | 198.05942 | 149.3 |
[M+CH3COO]- | 212.07507 | 178.1 |
[M+Na-2H]- | 174.03589 | 133.8 |
[M]+ | 153.06067 | 130.1 |
[M]- | 153.06177 | 130.1 |