PubChemLite - Pc(36:0/16:0) (C60H121NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C60H120NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-40-19-17-15-13-11-9-7-2/h58H,6-57H2,1-5H3/p+1/t58-/m1/s1

InChIKey

LPJVWMCZUDKHAK-QPUWJJAWSA-O

Compound name

2-[[(2R)-2-hexadecanoyloxy-3-hexatriacontanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1015.8903	343.7
[M+Na]+	1037.8722	341.6
[M-H]-	1013.8757	329.9
[M+NH4]+	1032.9168	351.5
[M+K]+	1053.8462	352.3
[M+H-H2O]+	997.88026	327.2
[M+HCOO]-	1059.8812	341.3
[M+CH3COO]-	1073.8969	333.6
[M+Na-2H]-	1035.8577	315.4
[M]+	1014.8825	344.6
[M]-	1014.8835	344.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1015.8903

343.7

[M+Na]+

1037.8722

341.6

[M-H]-

1013.8757

329.9

[M+NH4]+

1032.9168

351.5

[M+K]+

1053.8462

352.3

[M+H-H2O]+

997.88026

327.2

[M+HCOO]-

1059.8812

341.3

[M+CH3COO]-

1073.8969

333.6

[M+Na-2H]-

1035.8577

315.4

[M]+

1014.8825

344.6

[M]-

1014.8835

344.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pc(36:0/16:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe