PubChemLite - 1,2,3-tri-(9z-pentadecenoyl)-sn-glycerol (C48H86O6)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCC

InChI

InChI=1S/C48H86O6/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/h16-21,45H,4-15,22-44H2,1-3H3/b19-16-,20-17-,21-18-

InChIKey

ONPXYEULBZRYSX-JFJOQQEJSA-N

Compound name

2,3-bis[[(Z)-pentadec-9-enoyl]oxy]propyl (Z)-pentadec-9-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]+	759.64974	291.3
[M+Na]+	781.63168	297.3
[M-H]-	757.63518	278.5
[M+NH4]+	776.67628	299.1
[M+K]+	797.60562	302.2
[M+H-H2O]+	741.63972	292.4
[M+HCOO]-	803.64066	291.3
[M+CH3COO]-	817.65631	293.1
[M+Na-2H]-	779.61713	273.0
[M]+	758.64191	292.0
[M]-	758.64301	292.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

759.64974

291.3

[M+Na]+

781.63168

297.3

[M-H]-

757.63518

278.5

[M+NH4]+

776.67628

299.1

[M+K]+

797.60562

302.2

[M+H-H2O]+

741.63972

292.4

[M+HCOO]-

803.64066

291.3

[M+CH3COO]-

817.65631

293.1

[M+Na-2H]-

779.61713

273.0

[M]+

758.64191

292.0

[M]-

758.64301

292.0

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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