CID 489938
21-(2-furyl)henicosa-5,7-diynoic acid
Structural Information
- Molecular Formula
- C25H36O3
- SMILES
- C1=COC(=C1)CCCCCCCCCCCCCC#CC#CCCCC(=O)O
- InChI
- InChI=1S/C25H36O3/c26-25(27)22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-21-19-23-28-24/h19,21,23H,1-7,9,11,13,15-18,20,22H2,(H,26,27)
- InChIKey
- TUQJMXYGPHWZQQ-UHFFFAOYSA-N
- Compound name
- 21-(furan-2-yl)henicosa-5,7-diynoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.27373 | 190.0 |
[M+Na]+ | 407.25567 | 196.6 |
[M-H]- | 383.25917 | 189.7 |
[M+NH4]+ | 402.30027 | 197.5 |
[M+K]+ | 423.22961 | 189.7 |
[M+H-H2O]+ | 367.26371 | 174.1 |
[M+HCOO]- | 429.26465 | 196.1 |
[M+CH3COO]- | 443.28030 | 231.1 |
[M+Na-2H]- | 405.24112 | 186.5 |
[M]+ | 384.26590 | 185.8 |
[M]- | 384.26700 | 185.8 |
Literature stripe
Patent stripe
No patent data available for this compound.