PubChemLite - Tracylglycerol(22:1/22:0/22:1) (C69H130O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C69H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,66H,4-24,27,30-65H2,1-3H3/b28-25-,29-26-

InChIKey

XAFQOHXWAWTXOK-RZEXXKRKSA-N

Compound name

1,3-bis[[(Z)-docos-13-enoyl]oxy]propan-2-yl docosanoate

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]+	1055.9940	361.5
[M+Na]+	1077.9759	359.7
[M+NH4]+	1073.0205	363.2
[M+K]+	1093.9499	366.1
[M-H]-	1053.9794	339.8
[M+Na-2H]-	1075.9614	351.5
[M]+	1054.9862	356.8
[M]-	1054.9872	356.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1055.9940

361.5

[M+Na]+

1077.9759

359.7

[M+NH4]+

1073.0205

363.2

[M+K]+

1093.9499

366.1

[M-H]-

1053.9794

339.8

[M+Na-2H]-

1075.9614

351.5

[M]+

1054.9862

356.8

[M]-

1054.9872

356.8

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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