CID 83234844
1547734-72-4
Structural Information
- Molecular Formula
- C9H10O2S
- SMILES
- CC1=C(C(=CS1)C(=O)O)C2CC2
- InChI
- InChI=1S/C9H10O2S/c1-5-8(6-2-3-6)7(4-12-5)9(10)11/h4,6H,2-3H2,1H3,(H,10,11)
- InChIKey
- QHSULTJQUNGNFC-UHFFFAOYSA-N
- Compound name
- 4-cyclopropyl-5-methylthiophene-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.04743 | 131.0 |
[M+Na]+ | 205.02937 | 141.6 |
[M-H]- | 181.03287 | 138.1 |
[M+NH4]+ | 200.07397 | 148.1 |
[M+K]+ | 221.00331 | 137.9 |
[M+H-H2O]+ | 165.03741 | 125.9 |
[M+HCOO]- | 227.03835 | 149.6 |
[M+CH3COO]- | 241.05400 | 180.8 |
[M+Na-2H]- | 203.01482 | 131.9 |
[M]+ | 182.03960 | 135.6 |
[M]- | 182.04070 | 135.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.