PubChemLite - Tg(a-21:0/14:0/19:0)[rac] (C57H110O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C57H110O6/c1-5-8-10-12-14-16-18-19-20-21-25-29-32-36-40-44-48-55(58)61-51-54(63-57(60)50-46-42-38-34-27-17-15-13-11-9-6-2)52-62-56(59)49-45-41-37-33-30-26-23-22-24-28-31-35-39-43-47-53(4)7-3/h53-54H,5-52H2,1-4H3/t53?,54-/m1/s1

InChIKey

CPRHONXTKMEXSC-HVISTYRSSA-N

Compound name

[(2R)-3-nonadecanoyloxy-2-tetradecanoyloxypropyl] 18-methylicosanoate

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]+	891.83754	330.7
[M+Na]+	913.81948	329.1
[M+NH4]+	908.86408	333.7
[M+K]+	929.79342	333.4
[M-H]-	889.82298	312.5
[M+Na-2H]-	911.80493	323.7
[M]+	890.82971	326.7
[M]-	890.83081	326.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

891.83754

330.7

[M+Na]+

913.81948

329.1

[M+NH4]+

908.86408

333.7

[M+K]+

929.79342

333.4

[M-H]-

889.82298

312.5

[M+Na-2H]-

911.80493

323.7

[M]+

890.82971

326.7

[M]-

890.83081

326.7

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

Tg(a-21:0/14:0/19:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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