CID 45791351
3-cyclopropylthiophene-2-carboxylic acid
Structural Information
- Molecular Formula
- C8H8O2S
- SMILES
- C1CC1C2=C(SC=C2)C(=O)O
- InChI
- InChI=1S/C8H8O2S/c9-8(10)7-6(3-4-11-7)5-1-2-5/h3-5H,1-2H2,(H,9,10)
- InChIKey
- WGKWJMSBCFTXSQ-UHFFFAOYSA-N
- Compound name
- 3-cyclopropylthiophene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.03178 | 127.6 |
[M+Na]+ | 191.01372 | 137.8 |
[M-H]- | 167.01722 | 134.5 |
[M+NH4]+ | 186.05832 | 144.9 |
[M+K]+ | 206.98766 | 134.4 |
[M+H-H2O]+ | 151.02176 | 122.4 |
[M+HCOO]- | 213.02270 | 146.6 |
[M+CH3COO]- | 227.03835 | 176.9 |
[M+Na-2H]- | 188.99917 | 129.5 |
[M]+ | 168.02395 | 131.4 |
[M]- | 168.02505 | 131.4 |
Literature stripe
No literature data available for this compound.