PubChemLite - Tracylglycerol(24:0/24:1/24:0) (C75H144O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C75H144O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,72H,4-26,28-29,31-71H2,1-3H3/b30-27-

InChIKey

DMZPWMIHNPAKME-IKPAITLHSA-N

Compound name

[3-tetracosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] 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]+	1142.1036	372.2
[M+Na]+	1164.0855	372.8
[M-H]-	1140.0890	348.2
[M+NH4]+	1159.1301	379.6
[M+K]+	1180.0595	389.5
[M+H-H2O]+	1124.0936	371.1
[M+HCOO]-	1186.0945	361.3
[M+CH3COO]-	1200.1102	358.6
[M+Na-2H]-	1162.0710	344.0
[M]+	1141.0958	377.2
[M]-	1141.0968	377.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1142.1036

372.2

[M+Na]+

1164.0855

372.8

[M-H]-

1140.0890

348.2

[M+NH4]+

1159.1301

379.6

[M+K]+

1180.0595

389.5

[M+H-H2O]+

1124.0936

371.1

[M+HCOO]-

1186.0945

361.3

[M+CH3COO]-

1200.1102

358.6

[M+Na-2H]-

1162.0710

344.0

[M]+

1141.0958

377.2

[M]-

1141.0968

377.2

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

Tracylglycerol(24:0/24:1/24:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe