PubChemLite - 1-pentadecanoyl-2,3-di-(9z-pentadecenoyl)-sn-glycerol (C48H88O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCC

InChI

InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,45H,4-15,17,20,22-44H2,1-3H3/b19-16-,21-18-/t45-/m0/s1

InChIKey

BMQGGJQOMIJAQB-BNLPWFOJSA-N

Compound name

[(2R)-2,3-bis[[(Z)-pentadec-9-enoyl]oxy]propyl] pentadecanoate

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]+	761.66538	293.3
[M+Na]+	783.64732	298.6
[M-H]-	759.65082	279.7
[M+NH4]+	778.69192	300.7
[M+K]+	799.62126	304.1
[M+H-H2O]+	743.65536	294.3
[M+HCOO]-	805.65630	292.4
[M+CH3COO]-	819.67195	294.2
[M+Na-2H]-	781.63277	274.5
[M]+	760.65755	294.2
[M]-	760.65865	294.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

761.66538

293.3

[M+Na]+

783.64732

298.6

[M-H]-

759.65082

279.7

[M+NH4]+

778.69192

300.7

[M+K]+

799.62126

304.1

[M+H-H2O]+

743.65536

294.3

[M+HCOO]-

805.65630

292.4

[M+CH3COO]-

819.67195

294.2

[M+Na-2H]-

781.63277

274.5

[M]+

760.65755

294.2

[M]-

760.65865

294.2

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

1-pentadecanoyl-2,3-di-(9z-pentadecenoyl)-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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