PubChemLite - Tracylglycerol(24:1/22:1/24:1) (C73H136O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C73H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,70H,4-24,31-69H2,1-3H3/b28-25-,29-26-,30-27-

InChIKey

GKPJXXSEGRXSFN-IUPFWZBJSA-N

Compound name

[2-[(Z)-docos-13-enoyl]oxy-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]+	1110.0410	362.6
[M+Na]+	1132.0229	364.7
[M-H]-	1108.0264	340.9
[M+NH4]+	1127.0675	370.5
[M+K]+	1147.9969	379.7
[M+H-H2O]+	1092.0310	361.7
[M+HCOO]-	1154.0319	354.0
[M+CH3COO]-	1168.0476	352.9
[M+Na-2H]-	1130.0084	336.0
[M]+	1109.0332	366.8
[M]-	1109.0342	366.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1110.0410

362.6

[M+Na]+

1132.0229

364.7

[M-H]-

1108.0264

340.9

[M+NH4]+

1127.0675

370.5

[M+K]+

1147.9969

379.7

[M+H-H2O]+

1092.0310

361.7

[M+HCOO]-

1154.0319

354.0

[M+CH3COO]-

1168.0476

352.9

[M+Na-2H]-

1130.0084

336.0

[M]+

1109.0332

366.8

[M]-

1109.0342

366.8

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

Tracylglycerol(24:1/22:1/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe