PubChemLite - Pc(26:2(5z,9z)/26:2(5z,9z)) (C60H113NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC/C=C\CC/C=C/CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-39,44-47,58H,6-35,40-43,48-57H2,1-5H3/p+1/b38-36-,39-37-,46-44+,47-45+/t58-/m1/s1

InChIKey

FCBJSDNMCJQFQS-VVQPLHCQSA-O

Compound name

2-[[(2R)-2,3-bis[[(5E,9Z)-hexacosa-5,9-dienoyl]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]+	1007.8277	334.7
[M+Na]+	1029.8096	335.0
[M-H]-	1005.8131	324.2
[M+NH4]+	1024.8542	343.7
[M+K]+	1045.7836	343.9
[M+H-H2O]+	989.81766	318.4
[M+HCOO]-	1051.8186	335.6
[M+CH3COO]-	1065.8343	328.9
[M+Na-2H]-	1027.7951	308.5
[M]+	1006.8199	334.8
[M]-	1006.8209	334.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1007.8277

334.7

[M+Na]+

1029.8096

335.0

[M-H]-

1005.8131

324.2

[M+NH4]+

1024.8542

343.7

[M+K]+

1045.7836

343.9

[M+H-H2O]+

989.81766

318.4

[M+HCOO]-

1051.8186

335.6

[M+CH3COO]-

1065.8343

328.9

[M+Na-2H]-

1027.7951

308.5

[M]+

1006.8199

334.8

[M]-

1006.8209

334.8

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

Pc(26:2(5z,9z)/26:2(5z,9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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