CID 165706956
2-[2-hydroxy-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Structural Information
- Molecular Formula
- C10H19NO4S2
- SMILES
- CSCCC(C(=O)O)NC(=O)C(CCSC)O
- InChI
- InChI=1S/C10H19NO4S2/c1-16-5-3-7(10(14)15)11-9(13)8(12)4-6-17-2/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
- InChIKey
- MLQVEUGXFOLYPW-UHFFFAOYSA-N
- Compound name
- 2-[(2-hydroxy-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 282.08284 | 163.1 |
[M+Na]+ | 304.06478 | 165.0 |
[M-H]- | 280.06828 | 158.8 |
[M+NH4]+ | 299.10938 | 176.9 |
[M+K]+ | 320.03872 | 161.4 |
[M+H-H2O]+ | 264.07282 | 156.5 |
[M+HCOO]- | 326.07376 | 168.8 |
[M+CH3COO]- | 340.08941 | 196.4 |
[M+Na-2H]- | 302.05023 | 158.4 |
[M]+ | 281.07501 | 165.3 |
[M]- | 281.07611 | 165.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.