PubChemLite - Tracylglycerol(15:0/24:1/24:0) (C66H126O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C66H126O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,63H,4-25,27,29-62H2,1-3H3/b28-26-/t63-/m0/s1

InChIKey

ANWHZDOJZYSIHV-WJILHMGFSA-N

Compound name

[(2S)-3-pentadecanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] 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]+	1015.9627	348.5
[M+Na]+	1037.9447	350.5
[M-H]-	1013.9482	327.6
[M+NH4]+	1032.9893	355.7
[M+K]+	1053.9186	363.7
[M+H-H2O]+	997.95270	348.0
[M+HCOO]-	1059.9536	340.5
[M+CH3COO]-	1073.9693	339.0
[M+Na-2H]-	1035.9301	323.0
[M]+	1014.9549	351.8
[M]-	1014.9560	351.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1015.9627

348.5

[M+Na]+

1037.9447

350.5

[M-H]-

1013.9482

327.6

[M+NH4]+

1032.9893

355.7

[M+K]+

1053.9186

363.7

[M+H-H2O]+

997.95270

348.0

[M+HCOO]-

1059.9536

340.5

[M+CH3COO]-

1073.9693

339.0

[M+Na-2H]-

1035.9301

323.0

[M]+

1014.9549

351.8

[M]-

1014.9560

351.8

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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