PubChemLite - Tracylglycerol(22:0/15:0/24:0) (C64H124O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3

InChIKey

OHGWELMFQAGBBS-UHFFFAOYSA-N

Compound name

(3-docosanoyloxy-2-pentadecanoyloxypropyl) 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]+	989.94708	350.3
[M+Na]+	1011.9290	348.1
[M+NH4]+	1006.9736	352.2
[M+K]+	1027.9030	353.8
[M-H]-	987.93252	328.7
[M+Na-2H]-	1009.9145	341.0
[M]+	988.93925	345.4
[M]-	988.94035	345.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

989.94708

350.3

[M+Na]+

1011.9290

348.1

[M+NH4]+

1006.9736

352.2

[M+K]+

1027.9030

353.8

[M-H]-

987.93252

328.7

[M+Na-2H]-

1009.9145

341.0

[M]+

988.93925

345.4

[M]-

988.94035

345.4

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

Tracylglycerol(22:0/15:0/24:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe