PubChemLite - Tracylglycerol(22:1/24:0/24:1) (C73H138O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C73H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,70H,4-24,26,29,31-69H2,1-3H3/b28-25-,30-27-/t70-/m0/s1

InChIKey

UFRLLKLSQVAJBF-LQHNEPMFSA-N

Compound name

[(2R)-1-[(Z)-docos-13-enoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropan-2-yl] 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]+	1112.0566	364.8
[M+Na]+	1134.0385	366.3
[M-H]-	1110.0420	342.3
[M+NH4]+	1129.0831	372.4
[M+K]+	1150.0125	381.8
[M+H-H2O]+	1094.0466	363.9
[M+HCOO]-	1156.0475	355.4
[M+CH3COO]-	1170.0632	353.6
[M+Na-2H]-	1132.0240	337.7
[M]+	1111.0488	369.2
[M]-	1111.0498	369.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1112.0566

364.8

[M+Na]+

1134.0385

366.3

[M-H]-

1110.0420

342.3

[M+NH4]+

1129.0831

372.4

[M+K]+

1150.0125

381.8

[M+H-H2O]+

1094.0466

363.9

[M+HCOO]-

1156.0475

355.4

[M+CH3COO]-

1170.0632

353.6

[M+Na-2H]-

1132.0240

337.7

[M]+

1111.0488

369.2

[M]-

1111.0498

369.2

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

Tracylglycerol(22:1/24:0/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe