CID 52924978
Pe(o-18:0/15:1(9z))
Structural Information
- Molecular Formula
- C38H76NO7P
- SMILES
- CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCC
- InChI
- InChI=1S/C38H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,37H,3-11,13,15-36,39H2,1-2H3,(H,41,42)/b14-12-/t37-/m1/s1
- InChIKey
- CLZWXQSLDHDQQJ-SVKAEJSDSA-N
- Compound name
- [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-pentadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 690.54323 | 271.7 |
[M+Na]+ | 712.52517 | 274.2 |
[M-H]- | 688.52867 | 260.2 |
[M+NH4]+ | 707.56977 | 273.4 |
[M+K]+ | 728.49911 | 275.0 |
[M+H-H2O]+ | 672.53321 | 261.0 |
[M+HCOO]- | 734.53415 | 274.0 |
[M+CH3COO]- | 748.54980 | 280.6 |
[M+Na-2H]- | 710.51062 | 250.4 |
[M]+ | 689.53540 | 267.3 |
[M]- | 689.53650 | 267.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.