CID 165754352
2166640-77-1
Structural Information
- Molecular Formula
- C6H8O2S
- SMILES
- C1C2C1(CSC2)C(=O)O
- InChI
- InChI=1S/C6H8O2S/c7-5(8)6-1-4(6)2-9-3-6/h4H,1-3H2,(H,7,8)
- InChIKey
- DXOVQIIFFSGPKZ-UHFFFAOYSA-N
- Compound name
- 3-thiabicyclo[3.1.0]hexane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 145.03178 | 125.6 |
[M+Na]+ | 167.01372 | 135.3 |
[M-H]- | 143.01722 | 129.8 |
[M+NH4]+ | 162.05832 | 146.4 |
[M+K]+ | 182.98766 | 133.3 |
[M+H-H2O]+ | 127.02176 | 122.1 |
[M+HCOO]- | 189.02270 | 141.3 |
[M+CH3COO]- | 203.03835 | 171.9 |
[M+Na-2H]- | 164.99917 | 129.9 |
[M]+ | 144.02395 | 128.7 |
[M]- | 144.02505 | 128.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.