PubChemLite - Tracylglycerol(22:0/24:0/22:0) (C71H138O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h68H,4-67H2,1-3H3

InChIKey

AYBILJFMLVCDSP-UHFFFAOYSA-N

Compound name

1,3-di(docosanoyloxy)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]+	1088.0566	364.3
[M+Na]+	1110.0385	364.9
[M-H]-	1086.0420	340.8
[M+NH4]+	1105.0831	371.3
[M+K]+	1126.0125	380.5
[M+H-H2O]+	1070.0466	363.4
[M+HCOO]-	1132.0475	353.8
[M+CH3COO]-	1146.0632	350.8
[M+Na-2H]-	1108.0240	336.7
[M]+	1087.0488	368.7
[M]-	1087.0498	368.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1088.0566

364.3

[M+Na]+

1110.0385

364.9

[M-H]-

1086.0420

340.8

[M+NH4]+

1105.0831

371.3

[M+K]+

1126.0125

380.5

[M+H-H2O]+

1070.0466

363.4

[M+HCOO]-

1132.0475

353.8

[M+CH3COO]-

1146.0632

350.8

[M+Na-2H]-

1108.0240

336.7

[M]+

1087.0488

368.7

[M]-

1087.0498

368.7

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

Tracylglycerol(22:0/24:0/22:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe