PubChemLite - Pc(o-16:0/19:0) (C43H89NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C43H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44(3,4)5)40-48-38-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1

InChIKey

JSUKODYFWIPWCD-HUESYALOSA-O

Compound name

2-[[(2R)-3-hexadecoxy-2-nonadecanoyloxypropoxy]-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]+	763.64498	293.4
[M+Na]+	785.62692	293.8
[M-H]-	761.63042	282.9
[M+NH4]+	780.67152	298.6
[M+K]+	801.60086	297.4
[M+H-H2O]+	745.63496	277.5
[M+HCOO]-	807.63590	299.1
[M+CH3COO]-	821.65155	291.2
[M+Na-2H]-	783.61237	270.4
[M]+	762.63715	291.3
[M]-	762.63825	291.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

763.64498

293.4

[M+Na]+

785.62692

293.8

[M-H]-

761.63042

282.9

[M+NH4]+

780.67152

298.6

[M+K]+

801.60086

297.4

[M+H-H2O]+

745.63496

277.5

[M+HCOO]-

807.63590

299.1

[M+CH3COO]-

821.65155

291.2

[M+Na-2H]-

783.61237

270.4

[M]+

762.63715

291.3

[M]-

762.63825

291.3

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

Pc(o-16:0/19:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe