PubChemLite - Dioctadecanyl didecyltetradecanoate (C82H162O4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)OCCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCOC(=O)C(CCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C82H162O4/c1-7-13-19-25-31-35-37-41-53-63-73-79(71-61-51-39-33-27-21-15-9-3)81(83)85-75-65-55-45-43-49-59-69-77(67-57-47-29-23-17-11-5)78(68-58-48-30-24-18-12-6)70-60-50-44-46-56-66-76-86-82(84)80(72-62-52-40-34-28-22-16-10-4)74-64-54-42-38-36-32-26-20-14-8-2/h77-80H,7-76H2,1-6H3

InChIKey

AOLPYRKCAIPWSW-UHFFFAOYSA-N

Compound name

[18-(2-decyltetradecanoyloxy)-9,10-dioctyloctadecyl] 2-decyltetradecanoate

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]+	1212.2546	385.6
[M+Na]+	1234.2365	386.3
[M-H]-	1210.2400	359.7
[M+NH4]+	1229.2811	394.4
[M+K]+	1250.2105	407.7
[M+H-H2O]+	1194.2446	385.0
[M+HCOO]-	1256.2455	366.5
[M+CH3COO]-	1270.2612	373.2
[M+Na-2H]-	1232.2220	356.8
[M]+	1211.2468	392.0
[M]-	1211.2478	392.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1212.2546

385.6

[M+Na]+

1234.2365

386.3

[M-H]-

1210.2400

359.7

[M+NH4]+

1229.2811

394.4

[M+K]+

1250.2105

407.7

[M+H-H2O]+

1194.2446

385.0

[M+HCOO]-

1256.2455

366.5

[M+CH3COO]-

1270.2612

373.2

[M+Na-2H]-

1232.2220

356.8

[M]+

1211.2468

392.0

[M]-

1211.2478

392.0

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

Dioctadecanyl didecyltetradecanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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