PubChemLite - Tracylglycerol(20:1/24:1/20:1) (C67H124O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h25-30,64H,4-24,31-63H2,1-3H3/b28-25-,29-26-,30-27-

InChIKey

ZOMWMGBFIWIBFR-IUPFWZBJSA-N

Compound name

1,3-bis[[(Z)-icos-11-enoyl]oxy]propan-2-yl (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]+	1025.9471	346.9
[M+Na]+	1047.9290	349.8
[M-H]-	1023.9325	327.2
[M+NH4]+	1042.9736	354.6
[M+K]+	1063.9030	362.5
[M+H-H2O]+	1007.9371	346.4
[M+HCOO]-	1069.9380	340.2
[M+CH3COO]-	1083.9537	339.6
[M+Na-2H]-	1045.9145	322.0
[M]+	1024.9393	349.9
[M]-	1024.9403	349.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1025.9471

346.9

[M+Na]+

1047.9290

349.8

[M-H]-

1023.9325

327.2

[M+NH4]+

1042.9736

354.6

[M+K]+

1063.9030

362.5

[M+H-H2O]+

1007.9371

346.4

[M+HCOO]-

1069.9380

340.2

[M+CH3COO]-

1083.9537

339.6

[M+Na-2H]-

1045.9145

322.0

[M]+

1024.9393

349.9

[M]-

1024.9403

349.9

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

Tracylglycerol(20:1/24:1/20:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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