CID 10473216
(e,16s)-16-hydroxytricos-8-en-4,6,17,19-tetraynoic acid
Structural Information
- Molecular Formula
- C23H28O3
- SMILES
- CCCC#CC#C[C@H](CCCCCC/C=C/C#CC#CCCC(=O)O)O
- InChI
- InChI=1S/C23H28O3/c1-2-3-4-13-16-19-22(24)20-17-14-11-9-7-5-6-8-10-12-15-18-21-23(25)26/h5-6,22,24H,2-3,7,9,11,14,17-18,20-21H2,1H3,(H,25,26)/b6-5+/t22-/m1/s1
- InChIKey
- QGZIGGVDPDGDRQ-IOUFHMPJSA-N
- Compound name
- (E,16S)-16-hydroxytricos-8-en-4,6,17,19-tetraynoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 353.21114 | 171.5 |
[M+Na]+ | 375.19308 | 176.1 |
[M-H]- | 351.19658 | 174.5 |
[M+NH4]+ | 370.23768 | 174.5 |
[M+K]+ | 391.16702 | 173.1 |
[M+H-H2O]+ | 335.20112 | 164.1 |
[M+HCOO]- | 397.20206 | 170.8 |
[M+CH3COO]- | 411.21771 | 246.8 |
[M+Na-2H]- | 373.17853 | 167.5 |
[M]+ | 352.20331 | 166.8 |
[M]- | 352.20441 | 166.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.