PubChemLite - Pc(25:0/18:0) (C51H103NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3,4)5)60-51(54)44-42-40-38-36-34-32-29-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/p+1/t49-/m1/s1

InChIKey

KUAFXABDAHWEMG-ANFMRNGASA-O

Compound name

2-[hydroxy-[(2R)-2-octadecanoyloxy-3-pentacosanoyloxypropoxy]phosphoryl]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]+	889.74938	317.6
[M+Na]+	911.73132	317.0
[M-H]-	887.73482	307.1
[M+NH4]+	906.77592	325.4
[M+K]+	927.70526	324.0
[M+H-H2O]+	871.73936	301.8
[M+HCOO]-	933.74030	318.5
[M+CH3COO]-	947.75595	312.0
[M+Na-2H]-	909.71677	292.4
[M]+	888.74155	317.1
[M]-	888.74265	317.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

889.74938

317.6

[M+Na]+

911.73132

317.0

[M-H]-

887.73482

307.1

[M+NH4]+

906.77592

325.4

[M+K]+

927.70526

324.0

[M+H-H2O]+

871.73936

301.8

[M+HCOO]-

933.74030

318.5

[M+CH3COO]-

947.75595

312.0

[M+Na-2H]-

909.71677

292.4

[M]+

888.74155

317.1

[M]-

888.74265

317.1

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

Pc(25:0/18:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe