PubChemLite - Tracylglycerol(14:1/15:0/14:1) (C46H84O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC

InChI

InChI=1S/C46H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2)42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3/h14-15,17-18,43H,4-13,16,19-42H2,1-3H3/b17-14-,18-15-

InChIKey

IOPQXKJVKSXLKE-UBTQEXSZSA-N

Compound name

1,3-bis[[(Z)-tetradec-9-enoyl]oxy]propan-2-yl 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]+	733.63408	291.2
[M+Na]+	755.61602	291.5
[M+NH4]+	750.66062	293.5
[M+K]+	771.58996	293.4
[M-H]-	731.61952	276.7
[M+Na-2H]-	753.60147	288.1
[M]+	732.62625	288.0
[M]-	732.62735	288.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

733.63408

291.2

[M+Na]+

755.61602

291.5

[M+NH4]+

750.66062

293.5

[M+K]+

771.58996

293.4

[M-H]-

731.61952

276.7

[M+Na-2H]-

753.60147

288.1

[M]+

732.62625

288.0

[M]-

732.62735

288.0

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

Tracylglycerol(14:1/15:0/14:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe