CID 134812138
Dimef(9,3)
Structural Information
- Molecular Formula
- C17H28O3
- SMILES
- CCCC1=C(C(=C(O1)CCCCCCCC(=O)O)C)C
- InChI
- InChI=1S/C17H28O3/c1-4-10-15-13(2)14(3)16(20-15)11-8-6-5-7-9-12-17(18)19/h4-12H2,1-3H3,(H,18,19)
- InChIKey
- JGGAKHTVIUIVPQ-UHFFFAOYSA-N
- Compound name
- 8-(3,4-dimethyl-5-propylfuran-2-yl)octanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.21114 | 171.4 |
[M+Na]+ | 303.19308 | 177.6 |
[M-H]- | 279.19658 | 173.8 |
[M+NH4]+ | 298.23768 | 187.9 |
[M+K]+ | 319.16702 | 175.2 |
[M+H-H2O]+ | 263.20112 | 165.6 |
[M+HCOO]- | 325.20206 | 191.3 |
[M+CH3COO]- | 339.21771 | 202.4 |
[M+Na-2H]- | 301.17853 | 170.3 |
[M]+ | 280.20331 | 177.8 |
[M]- | 280.20441 | 177.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.