PubChemLite - Pc(24:1(15z)/18:0) (C50H99NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/p+1/b22-20-/t48-/m1/s1

InChIKey

NNYLDFXNPQLQLU-RURDTVAGSA-O

Compound name

2-[hydroxy-[(2R)-2-octadecanoyloxy-3-[(Z)-tetracos-15-enoyl]oxypropoxy]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]+	873.71808	310.0
[M+Na]+	895.70002	310.7
[M+NH4]+	890.74462	288.1
[M+K]+	911.67396	315.0
[M-H]-	871.70352	268.6
[M+Na-2H]-	893.68547	295.0
[M]+	872.71025	309.1
[M]-	872.71135	309.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

873.71808

310.0

[M+Na]+

895.70002

310.7

[M+NH4]+

890.74462

288.1

[M+K]+

911.67396

315.0

[M-H]-

871.70352

268.6

[M+Na-2H]-

893.68547

295.0

[M]+

872.71025

309.1

[M]-

872.71135

309.1

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

Pc(24:1(15z)/18:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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