CID 52922245

Pc(14:1(9z)/14:0)

Structural Information

Molecular Formula
C36H71NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C36H70NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12,14,34H,6-11,13,15-33H2,1-5H3/p+1/b14-12-/t34-/m1/s1
InChIKey
XQPYHFHTTVXZKL-XBEBLRSGSA-O
Compound name
2-[hydroxy-[(2R)-2-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

676.49176 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.49904 267.1
[M+Na]+ 699.48098 270.4
[M+NH4]+ 694.52558 243.3
[M+K]+ 715.45492 276.2
[M-H]- 675.48448 261.8
[M+Na-2H]- 697.46643 256.8
[M]+ 676.49121 267.6
[M]- 676.49231 267.6
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.