PubChemLite - Tracylglycerol(16:1/24:0/16:1) (C59H110O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-

InChIKey

AKRDICGFDXTDDB-XFUYORNGSA-N

Compound name

1,3-bis[[(Z)-hexadec-9-enoyl]oxy]propan-2-yl tetracosanoate

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]+	915.83754	332.4
[M+Na]+	937.81948	331.5
[M+NH4]+	932.86408	334.4
[M+K]+	953.79342	335.9
[M-H]-	913.82298	313.8
[M+Na-2H]-	935.80493	325.3
[M]+	914.82971	328.4
[M]-	914.83081	328.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

915.83754

332.4

[M+Na]+

937.81948

331.5

[M+NH4]+

932.86408

334.4

[M+K]+

953.79342

335.9

[M-H]-

913.82298

313.8

[M+Na-2H]-

935.80493

325.3

[M]+

914.82971

328.4

[M]-

914.83081

328.4

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

Tracylglycerol(16:1/24:0/16:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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