PubChemLite - Tg(i-20:0/8:0/12:0) (C43H82O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC

InChI

InChI=1S/C43H82O6/c1-5-7-9-11-12-19-23-27-30-34-41(44)47-37-40(49-43(46)36-32-25-10-8-6-2)38-48-42(45)35-31-28-24-21-18-16-14-13-15-17-20-22-26-29-33-39(3)4/h39-40H,5-38H2,1-4H3/t40-/m1/s1

InChIKey

MXRNJKZWJVNRHY-RRHRGVEJSA-N

Compound name

[(2R)-3-dodecanoyloxy-2-octanoyloxypropyl] 18-methylnonadecanoate

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	286.3
[M+Na]+	717.60037	285.9
[M+NH4]+	712.64497	289.6
[M+K]+	733.57431	287.5
[M-H]-	693.60387	272.5
[M+Na-2H]-	715.58582	283.6
[M]+	694.61060	283.2
[M]-	694.61170	283.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

695.61843

286.3

[M+Na]+

717.60037

285.9

[M+NH4]+

712.64497

289.6

[M+K]+

733.57431

287.5

[M-H]-

693.60387

272.5

[M+Na-2H]-

715.58582

283.6

[M]+

694.61060

283.2

[M]-

694.61170

283.2

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

Tg(i-20:0/8:0/12:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe