CID 70286
935-13-7
Structural Information
- Molecular Formula
- C7H8O3
- SMILES
- C1=COC(=C1)CCC(=O)O
- InChI
- InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
- InChIKey
- XLTJXJJMUFDQEZ-UHFFFAOYSA-N
- Compound name
- 3-(furan-2-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.05463 | 126.3 |
[M+Na]+ | 163.03657 | 134.0 |
[M-H]- | 139.04007 | 129.3 |
[M+NH4]+ | 158.08117 | 147.5 |
[M+K]+ | 179.01051 | 134.1 |
[M+H-H2O]+ | 123.04461 | 121.5 |
[M+HCOO]- | 185.04555 | 149.7 |
[M+CH3COO]- | 199.06120 | 168.6 |
[M+Na-2H]- | 161.02202 | 132.5 |
[M]+ | 140.04680 | 127.8 |
[M]- | 140.04790 | 127.8 |