PubChemLite - 1-myristoyl-2-stearyl-3-palmitoyl-glycerol (C51H100O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCO[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)48-56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1

InChIKey

YFOZTLVOZJFAPJ-GGCSAXROSA-N

Compound name

[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] hexadecanoate

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]+	793.76438	307.1
[M+Na]+	815.74632	310.1
[M-H]-	791.74982	287.7
[M+NH4]+	810.79092	311.1
[M+K]+	831.72026	317.7
[M+H-H2O]+	775.75436	306.8
[M+HCOO]-	837.75530	304.9
[M+CH3COO]-	851.77095	303.2
[M+Na-2H]-	813.73177	285.3
[M]+	792.75655	308.1
[M]-	792.75765	308.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.76438

307.1

[M+Na]+

815.74632

310.1

[M-H]-

791.74982

287.7

[M+NH4]+

810.79092

311.1

[M+K]+

831.72026

317.7

[M+H-H2O]+

775.75436

306.8

[M+HCOO]-

837.75530

304.9

[M+CH3COO]-

851.77095

303.2

[M+Na-2H]-

813.73177

285.3

[M]+

792.75655

308.1

[M]-

792.75765

308.1

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

1-myristoyl-2-stearyl-3-palmitoyl-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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