CID 21317118
2-[4-(methylsulfanyl)phenoxy]propanoic acid
Structural Information
- Molecular Formula
- C10H12O3S
- SMILES
- CC(C(=O)O)OC1=CC=C(C=C1)SC
- InChI
- InChI=1S/C10H12O3S/c1-7(10(11)12)13-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,11,12)
- InChIKey
- MEWMSMRFZJJBNA-UHFFFAOYSA-N
- Compound name
- 2-(4-methylsulfanylphenoxy)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.05800 | 144.3 |
[M+Na]+ | 235.03994 | 151.3 |
[M-H]- | 211.04344 | 146.8 |
[M+NH4]+ | 230.08454 | 162.8 |
[M+K]+ | 251.01388 | 149.1 |
[M+H-H2O]+ | 195.04798 | 138.5 |
[M+HCOO]- | 257.04892 | 160.5 |
[M+CH3COO]- | 271.06457 | 183.6 |
[M+Na-2H]- | 233.02539 | 145.3 |
[M]+ | 212.05017 | 147.6 |
[M]- | 212.05127 | 147.6 |
Literature stripe
No literature data available for this compound.