PubChemLite - Tracylglycerol(24:1/16:1/24:1) (C67H124O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,64H,4-20,22-23,29-63H2,1-3H3/b24-21-,27-25-,28-26-

InChIKey

RYOXBHVIRFUQLD-CABVQDRLSA-N

Compound name

[2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropyl] (Z)-tetracos-15-enoate

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]+	1025.9471	354.4
[M+Na]+	1047.9290	353.2
[M+NH4]+	1042.9736	356.2
[M+K]+	1063.9030	359.0
[M-H]-	1023.9325	334.1
[M+Na-2H]-	1045.9145	345.4
[M]+	1024.9393	350.1
[M]-	1024.9403	350.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1025.9471

354.4

[M+Na]+

1047.9290

353.2

[M+NH4]+

1042.9736

356.2

[M+K]+

1063.9030

359.0

[M-H]-

1023.9325

334.1

[M+Na-2H]-

1045.9145

345.4

[M]+

1024.9393

350.1

[M]-

1024.9403

350.1

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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