PubChemLite - Tracylglycerol(24:1/16:0/24:1) (C67H126O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,64H,4-24,29-63H2,1-3H3/b27-25-,28-26-

InChIKey

PMKLAYCBYKDPII-LBXGSASVSA-N

Compound name

[2-hexadecanoyloxy-3-[(Z)-tetracos-15-enoyl]oxypropyl] (Z)-tetracos-15-enoate

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]+	1027.9627	355.9
[M+Na]+	1049.9446	354.2
[M+NH4]+	1044.9892	357.7
[M+K]+	1065.9186	360.2
[M-H]-	1025.9481	334.8
[M+Na-2H]-	1047.9301	346.5
[M]+	1026.9549	351.3
[M]-	1026.9559	351.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1027.9627

355.9

[M+Na]+

1049.9446

354.2

[M+NH4]+

1044.9892

357.7

[M+K]+

1065.9186

360.2

[M-H]-

1025.9481

334.8

[M+Na-2H]-

1047.9301

346.5

[M]+

1026.9549

351.3

[M]-

1026.9559

351.3

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

Tracylglycerol(24:1/16:0/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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