PubChemLite - Tracylglycerol(22:2/24:0/22:2) (C71H130O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,68H,4-16,19,22-25,28,31-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-

InChIKey

RDCPYQBRCVRWJU-FTHRAJORSA-N

Compound name

1,3-bis[[(13Z,16Z)-docosa-13,16-dienoyl]oxy]propan-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]+	1079.9940	364.3
[M+Na]+	1101.9759	363.2
[M+NH4]+	1097.0205	366.0
[M+K]+	1117.9499	369.6
[M-H]-	1077.9794	343.5
[M+Na-2H]-	1099.9614	354.5
[M]+	1078.9862	360.1
[M]-	1078.9872	360.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1079.9940

364.3

[M+Na]+

1101.9759

363.2

[M+NH4]+

1097.0205

366.0

[M+K]+

1117.9499

369.6

[M-H]-

1077.9794

343.5

[M+Na-2H]-

1099.9614

354.5

[M]+

1078.9862

360.1

[M]-

1078.9872

360.1

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

Tracylglycerol(22:2/24:0/22:2)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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