Tracylglycerol(15:0/24:0/24:0) (C66H128O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m0/s1

InChIKey

FKSVEICDLRVKPY-VGRRCQLWSA-N

Compound name

[(2S)-3-pentadecanoyloxy-2-tetracosanoyloxypropyl] 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]+	1017.978346	350.9
[M+Na]+	1039.960288	352.2
[M-H]-	1015.963794	329.1
[M+NH4]+	1035.004893	357.8
[M+K]+	1055.934228	365.8
[M+H-H2O]+	999.968330	350.3
[M+HCOO]-	1061.969271	342.0
[M+CH3COO]-	1075.984921	339.8
[M+Na-2H]-	1037.945736	324.8
[M]+	1016.97052142	354.3
[M]-	1016.97161858	354.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1017.978346

350.9

[M+Na]+

1039.960288

352.2

[M-H]-

1015.963794

329.1

[M+NH4]+

1035.004893

357.8

[M+K]+

1055.934228

365.8

[M+H-H2O]+

999.968330

350.3

[M+HCOO]-

1061.969271

342.0

[M+CH3COO]-

1075.984921

339.8

[M+Na-2H]-

1037.945736

324.8

[M]+

1016.97052142

354.3

[M]-

1016.97161858

354.3

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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