CID 134812304

Oon-pc

Structural Information

Molecular Formula
C35H67NO9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C35H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-34(38)42-31-33(32-44-46(40,41)43-30-28-36(2,3)4)45-35(39)27-24-21-18-19-22-25-29-37/h12-13,29,33H,5-11,14-28,30-32H2,1-4H3/p+1/b13-12-/t33-/m1/s1
InChIKey
OIKHXQGBBKPTHX-XJFUVJCPSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.4553 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.46258 264.6
[M+Na]+ 699.44452 267.7
[M-H]- 675.44802 262.3
[M+NH4]+ 694.48912 274.0
[M+K]+ 715.41846 267.0
[M+H-H2O]+ 659.45256 250.6
[M+HCOO]- 721.45350 273.1
[M+CH3COO]- 735.46915 269.5
[M+Na-2H]- 697.42997 246.4
[M]+ 676.45475 263.0
[M]- 676.45585 263.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.