CID 131821051
Pe-nme2(16:0/14:1(9z))
Structural Information
- Molecular Formula
- C37H72NO8P
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCC/C=C\CCCC
- InChI
- InChI=1S/C37H72NO8P/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3)4)46-37(40)30-28-26-24-22-19-16-14-12-10-8-6-2/h12,14,35H,5-11,13,15-34H2,1-4H3,(H,41,42)/b14-12-
- InChIKey
- RQKNOMSXSZVFDR-OWBHPGMISA-N
- Compound name
- [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] hexadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 690.50688 | 275.6 |
[M+Na]+ | 712.48882 | 280.5 |
[M-H]- | 688.49232 | 270.0 |
[M+NH4]+ | 707.53342 | 285.0 |
[M+K]+ | 728.46276 | 281.7 |
[M+H-H2O]+ | 672.49686 | 268.0 |
[M+HCOO]- | 734.49780 | 276.6 |
[M+CH3COO]- | 748.51345 | 282.2 |
[M+Na-2H]- | 710.47427 | 256.7 |
[M]+ | 689.49905 | 274.3 |
[M]- | 689.50015 | 274.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.