CID 52922347

Pc(15:1(9z)/13:0)

Structural Information

Molecular Formula
C36H71NO8P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C36H70NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-20-17-15-13-11-9-7-2/h14,16,34H,6-13,15,17-33H2,1-5H3/p+1/b16-14-/t34-/m1/s1
InChIKey
HVYBUENKBAZOFM-CVBYVTFXSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-pentadec-9-enoyl]oxy-2-tridecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
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 267.4
[M+Na]+ 699.48098 270.3
[M-H]- 675.48448 263.4
[M+NH4]+ 694.52558 275.8
[M+K]+ 715.45492 270.5
[M+H-H2O]+ 659.48902 253.1
[M+HCOO]- 721.48996 274.9
[M+CH3COO]- 735.50561 271.4
[M+Na-2H]- 697.46643 248.6
[M]+ 676.49121 265.4
[M]- 676.49231 265.4
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.