PubChemLite - Tracylglycerol(24:1/15:0/24:1) (C66H124O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,63H,4-24,29-62H2,1-3H3/b27-25-,28-26-

InChIKey

CAALSGREVUIKNN-LBXGSASVSA-N

Compound name

[2-pentadecanoyloxy-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]+	1013.9471	346.3
[M+Na]+	1035.9290	348.8
[M-H]-	1011.9325	326.2
[M+NH4]+	1030.9736	353.8
[M+K]+	1051.9030	361.6
[M+H-H2O]+	995.93706	345.8
[M+HCOO]-	1057.9380	339.1
[M+CH3COO]-	1071.9537	338.2
[M+Na-2H]-	1033.9145	321.2
[M]+	1012.9393	349.3
[M]-	1012.9403	349.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1013.9471

346.3

[M+Na]+

1035.9290

348.8

[M-H]-

1011.9325

326.2

[M+NH4]+

1030.9736

353.8

[M+K]+

1051.9030

361.6

[M+H-H2O]+

995.93706

345.8

[M+HCOO]-

1057.9380

339.1

[M+CH3COO]-

1071.9537

338.2

[M+Na-2H]-

1033.9145

321.2

[M]+

1012.9393

349.3

[M]-

1012.9403

349.3

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

Tracylglycerol(24:1/15:0/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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