PubChemLite - Tg(a-25:0/14:0/18:0)[rac] (C60H116O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C60H116O6/c1-5-8-10-12-14-16-18-19-24-28-32-35-39-43-47-51-58(61)64-54-57(66-60(63)53-49-45-41-37-30-17-15-13-11-9-6-2)55-65-59(62)52-48-44-40-36-33-29-26-23-21-20-22-25-27-31-34-38-42-46-50-56(4)7-3/h56-57H,5-55H2,1-4H3/t56?,57-/m1/s1

InChIKey

CLOGPJBRRKWIAD-PRGMGZSTSA-N

Compound name

[(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] 22-methyltetracosanoate

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]+	933.88448	339.7
[M+Na]+	955.86642	337.8
[M+NH4]+	950.91102	342.6
[M+K]+	971.84036	342.7
[M-H]-	931.86992	320.5
[M+Na-2H]-	953.85187	331.9
[M]+	932.87665	335.5
[M]-	932.87775	335.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

933.88448

339.7

[M+Na]+

955.86642

337.8

[M+NH4]+

950.91102

342.6

[M+K]+

971.84036

342.7

[M-H]-

931.86992

320.5

[M+Na-2H]-

953.85187

331.9

[M]+

932.87665

335.5

[M]-

932.87775

335.5

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

Tg(a-25:0/14:0/18:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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