CID 52923871

Pc(p-16:0/12:0)

Structural Information

Molecular Formula
C36H73NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C36H72NO7P/c1-6-8-10-12-14-16-17-18-19-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37(3,4)5)44-36(38)29-27-25-23-21-15-13-11-9-7-2/h28,31,35H,6-27,29-30,32-34H2,1-5H3/p+1/b31-28-/t35-/m1/s1
InChIKey
KDUHPMVKMKVSNJ-HWZZGRHZSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-[(Z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.51245 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.51973 267.9
[M+Na]+ 685.50167 270.2
[M-H]- 661.50517 260.9
[M+NH4]+ 680.54627 273.6
[M+K]+ 701.47561 270.4
[M+H-H2O]+ 645.50971 252.8
[M+HCOO]- 707.51065 277.2
[M+CH3COO]- 721.52630 270.9
[M+Na-2H]- 683.48712 248.3
[M]+ 662.51190 265.3
[M]- 662.51300 265.3
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.