CID 5313045

91917-72-5

Structural Information

Molecular Formula
C38H75NO8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-15-13-11-9-7-2/h18-19,36H,6-17,20-35H2,1-5H3/p+1/b19-18-/t36-/m1/s1
InChIKey
LPUZRKCOBURCPA-UAIAYBLDSA-O
Compound name
2-[[(2R)-3-dodecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

704.523 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.53028 274.1
[M+Na]+ 727.51222 276.6
[M-H]- 703.51572 269.4
[M+NH4]+ 722.55682 282.4
[M+K]+ 743.48616 277.6
[M+H-H2O]+ 687.52026 259.6
[M+HCOO]- 749.52120 280.8
[M+CH3COO]- 763.53685 276.9
[M+Na-2H]- 725.49767 254.5
[M]+ 704.52245 272.2
[M]- 704.52355 272.2
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.