CID 131820176
Pe-nme(16:1(9z)/14:0)
Structural Information
- Molecular Formula
- C36H70NO8P
- SMILES
- CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCNC
- InChI
- InChI=1S/C36H70NO8P/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37-3)45-36(39)29-27-25-23-21-18-15-13-11-9-7-5-2/h14,16,34,37H,4-13,15,17-33H2,1-3H3,(H,40,41)/b16-14-
- InChIKey
- ZMDMTGWWGLBQBS-PEZBUJJGSA-N
- Compound name
- [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] (Z)-hexadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 676.49118 | 270.8 |
[M+Na]+ | 698.47312 | 274.3 |
[M-H]- | 674.47662 | 263.5 |
[M+NH4]+ | 693.51772 | 276.3 |
[M+K]+ | 714.44706 | 274.6 |
[M+H-H2O]+ | 658.48116 | 261.5 |
[M+HCOO]- | 720.48210 | 272.9 |
[M+CH3COO]- | 734.49775 | 276.7 |
[M+Na-2H]- | 696.45857 | 250.9 |
[M]+ | 675.48335 | 267.8 |
[M]- | 675.48445 | 267.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.