CID 67366437
1324010-56-1
Structural Information
- Molecular Formula
- C8H8O4S
- SMILES
- COC(=O)C1=CSC(=C1)CC(=O)O
- InChI
- InChI=1S/C8H8O4S/c1-12-8(11)5-2-6(13-4-5)3-7(9)10/h2,4H,3H2,1H3,(H,9,10)
- InChIKey
- BMMLBQRNPHKSEY-UHFFFAOYSA-N
- Compound name
- 2-(4-methoxycarbonylthiophen-2-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.02161 | 141.4 |
[M+Na]+ | 223.00355 | 149.6 |
[M-H]- | 199.00705 | 144.4 |
[M+NH4]+ | 218.04815 | 162.2 |
[M+K]+ | 238.97749 | 148.1 |
[M+H-H2O]+ | 183.01159 | 136.5 |
[M+HCOO]- | 245.01253 | 159.4 |
[M+CH3COO]- | 259.02818 | 178.1 |
[M+Na-2H]- | 220.98900 | 141.3 |
[M]+ | 200.01378 | 145.5 |
[M]- | 200.01488 | 145.5 |
Literature stripe
No literature data available for this compound.