PubChemLite - Pc(23:1(9z)/23:1(9z)) (C54H105NO8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-33,52H,6-29,34-51H2,1-5H3/p+1/b32-30-,33-31-/t52-/m1/s1

InChIKey

FBOGNPYUFRBIPX-QGXNMIOQSA-O

Compound name

2-[[(2R)-2,3-bis[[(Z)-tricos-9-enoyl]oxy]propoxy]-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]+	927.76503	321.9
[M+Na]+	949.74697	322.0
[M-H]-	925.75047	312.0
[M+NH4]+	944.79157	330.3
[M+K]+	965.72091	329.3
[M+H-H2O]+	909.75501	305.9
[M+HCOO]-	971.75595	323.3
[M+CH3COO]-	985.77160	316.9
[M+Na-2H]-	947.73242	296.7
[M]+	926.75720	321.4
[M]-	926.75830	321.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

927.76503

321.9

[M+Na]+

949.74697

322.0

[M-H]-

925.75047

312.0

[M+NH4]+

944.79157

330.3

[M+K]+

965.72091

329.3

[M+H-H2O]+

909.75501

305.9

[M+HCOO]-

971.75595

323.3

[M+CH3COO]-

985.77160

316.9

[M+Na-2H]-

947.73242

296.7

[M]+

926.75720

321.4

[M]-

926.75830

321.4

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

Pc(23:1(9z)/23:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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