CID 88118
Gemfibrozil m3
Structural Information
- Molecular Formula
- C15H20O5
- SMILES
- CC1=C(C=C(C=C1)C(=O)O)OCCCC(C)(C)C(=O)O
- InChI
- InChI=1S/C15H20O5/c1-10-5-6-11(13(16)17)9-12(10)20-8-4-7-15(2,3)14(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19)
- InChIKey
- MOMCEAQWBWEIJV-UHFFFAOYSA-N
- Compound name
- 3-(4-carboxy-4-methylpentoxy)-4-methylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.13835 | 163.5 |
[M+Na]+ | 303.12029 | 169.4 |
[M-H]- | 279.12379 | 164.3 |
[M+NH4]+ | 298.16489 | 178.1 |
[M+K]+ | 319.09423 | 167.5 |
[M+H-H2O]+ | 263.12833 | 157.8 |
[M+HCOO]- | 325.12927 | 180.9 |
[M+CH3COO]- | 339.14492 | 197.3 |
[M+Na-2H]- | 301.10574 | 164.8 |
[M]+ | 280.13052 | 166.7 |
[M]- | 280.13162 | 166.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.