PubChemLite - 1,2-dilauroyl-3-oleoyl-sn-glycerol (C45H84O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C45H84O6/c1-4-7-10-13-16-19-20-21-22-23-24-27-29-32-35-38-44(47)50-41-42(51-45(48)39-36-33-30-26-18-15-12-9-6-3)40-49-43(46)37-34-31-28-25-17-14-11-8-5-2/h21-22,42H,4-20,23-41H2,1-3H3/b22-21-/t42-/m1/s1

InChIKey

VHSCSWKCDUHRCW-KNWKQHDPSA-N

Compound name

[(2R)-2,3-di(dodecanoyloxy)propyl] (Z)-octadec-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]+	721.63408	285.8
[M+Na]+	743.61602	291.0
[M-H]-	719.61952	272.5
[M+NH4]+	738.66062	292.9
[M+K]+	759.58996	295.7
[M+H-H2O]+	703.62406	287.0
[M+HCOO]-	765.62500	285.2
[M+CH3COO]-	779.64065	287.5
[M+Na-2H]-	741.60147	267.7
[M]+	720.62625	286.7
[M]-	720.62735	286.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

721.63408

285.8

[M+Na]+

743.61602

291.0

[M-H]-

719.61952

272.5

[M+NH4]+

738.66062

292.9

[M+K]+

759.58996

295.7

[M+H-H2O]+

703.62406

287.0

[M+HCOO]-

765.62500

285.2

[M+CH3COO]-

779.64065

287.5

[M+Na-2H]-

741.60147

267.7

[M]+

720.62625

286.7

[M]-

720.62735

286.7

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

1,2-dilauroyl-3-oleoyl-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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