PubChemLite - Tg(a-15:0/8:0/i-17:0)[rac] (C43H82O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC

InChI

InChI=1S/C43H82O6/c1-6-8-9-21-30-35-43(46)49-40(37-48-42(45)34-29-25-20-16-15-18-23-27-32-39(5)7-2)36-47-41(44)33-28-24-19-14-12-10-11-13-17-22-26-31-38(3)4/h38-40H,6-37H2,1-5H3/t39?,40-/m1/s1

InChIKey

ZYFFWWOPKYLYMU-DHPKCYQYSA-N

Compound name

[(2R)-3-(12-methyltetradecanoyloxy)-2-octanoyloxypropyl] 15-methylhexadecanoate

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]+	695.61843	286.9
[M+Na]+	717.60037	286.5
[M+NH4]+	712.64497	291.1
[M+K]+	733.57431	288.2
[M-H]-	693.60387	274.3
[M+Na-2H]-	715.58582	284.5
[M]+	694.61060	284.2
[M]-	694.61170	284.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

695.61843

286.9

[M+Na]+

717.60037

286.5

[M+NH4]+

712.64497

291.1

[M+K]+

733.57431

288.2

[M-H]-

693.60387

274.3

[M+Na-2H]-

715.58582

284.5

[M]+

694.61060

284.2

[M]-

694.61170

284.2

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

Tg(a-15:0/8:0/i-17:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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