PubChemLite - Diglyceryl tetrastearate (C78H150O9)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C78H150O9/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-75(79)84-71-73(86-77(81)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)69-83-70-74(87-78(82)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-85-76(80)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h73-74H,5-72H2,1-4H3

InChIKey

PSQZURIOAGQANZ-UHFFFAOYSA-N

Compound name

[3-[2,3-di(octadecanoyloxy)propoxy]-2-octadecanoyloxypropyl] octadecanoate

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]+	1232.1352	389.0
[M+Na]+	1254.1171	388.9
[M-H]-	1230.1206	369.1
[M+NH4]+	1249.1617	402.1
[M+K]+	1270.0911	407.2
[M+H-H2O]+	1214.1252	389.5
[M+HCOO]-	1276.1261	372.1
[M+CH3COO]-	1290.1418	367.2
[M+Na-2H]-	1252.1026	360.2
[M]+	1231.1274	398.6
[M]-	1231.1284	398.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1232.1352

389.0

[M+Na]+

1254.1171

388.9

[M-H]-

1230.1206

369.1

[M+NH4]+

1249.1617

402.1

[M+K]+

1270.0911

407.2

[M+H-H2O]+

1214.1252

389.5

[M+HCOO]-

1276.1261

372.1

[M+CH3COO]-

1290.1418

367.2

[M+Na-2H]-

1252.1026

360.2

[M]+

1231.1274

398.6

[M]-

1231.1284

398.6

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

Diglyceryl tetrastearate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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