CID 12649933
5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid
Structural Information
- Molecular Formula
- C9H12O3S
- SMILES
- CC(C)(CC1=CC=C(S1)C(=O)O)O
- InChI
- InChI=1S/C9H12O3S/c1-9(2,12)5-6-3-4-7(13-6)8(10)11/h3-4,12H,5H2,1-2H3,(H,10,11)
- InChIKey
- GACGOYYBOFRKEA-UHFFFAOYSA-N
- Compound name
- 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.05800 | 144.8 |
[M+Na]+ | 223.03994 | 153.2 |
[M+NH4]+ | 218.08454 | 151.9 |
[M+K]+ | 239.01388 | 149.7 |
[M-H]- | 199.04344 | 143.8 |
[M+Na-2H]- | 221.02539 | 147.2 |
[M]+ | 200.05017 | 145.9 |
[M]- | 200.05127 | 145.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.