PubChemLite - Tracylglycerol(24:1/18:2/24:1) (C69H126O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C69H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,25-29,40,66H,4-17,19-20,22-24,30-39,41-65H2,1-3H3/b21-18-,28-25-,29-26-,40-27-

InChIKey

RXICPAMTIRTMAF-GRVGFUKCSA-N

Compound name

[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-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]+	1051.9627	358.6
[M+Na]+	1073.9446	357.7
[M+NH4]+	1068.9892	360.4
[M+K]+	1089.9186	363.8
[M-H]-	1049.9481	338.5
[M+Na-2H]-	1071.9301	349.4
[M]+	1050.9549	354.5
[M]-	1050.9559	354.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1051.9627

358.6

[M+Na]+

1073.9446

357.7

[M+NH4]+

1068.9892

360.4

[M+K]+

1089.9186

363.8

[M-H]-

1049.9481

338.5

[M+Na-2H]-

1071.9301

349.4

[M]+

1050.9549

354.5

[M]-

1050.9559

354.5

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

Tracylglycerol(24:1/18:2/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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