PubChemLite - Tg(a-25:0/a-25:0/a-25:0)[rac] (C78H152O6)

Structural Information

Molecular Formula

SMILES

CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC

InChI

InChI=1S/C78H152O6/c1-7-72(4)64-58-52-46-40-34-28-22-16-10-13-19-25-31-37-43-49-55-61-67-76(79)82-70-75(84-78(81)69-63-57-51-45-39-33-27-21-15-12-18-24-30-36-42-48-54-60-66-74(6)9-3)71-83-77(80)68-62-56-50-44-38-32-26-20-14-11-17-23-29-35-41-47-53-59-65-73(5)8-2/h72-75H,7-71H2,1-6H3

InChIKey

LIJFMRDWODJKRV-UHFFFAOYSA-N

Compound name

2,3-bis(22-methyltetracosanoyloxy)propyl 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]+	1186.1662	378.7
[M+Na]+	1208.1481	380.1
[M-H]-	1184.1516	357.7
[M+NH4]+	1203.1927	390.9
[M+K]+	1224.1221	399.8
[M+H-H2O]+	1168.1562	379.3
[M+HCOO]-	1230.1571	359.1
[M+CH3COO]-	1244.1728	366.2
[M+Na-2H]-	1206.1336	351.5
[M]+	1185.1584	386.1
[M]-	1185.1594	386.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1186.1662

378.7

[M+Na]+

1208.1481

380.1

[M-H]-

1184.1516

357.7

[M+NH4]+

1203.1927

390.9

[M+K]+

1224.1221

399.8

[M+H-H2O]+

1168.1562

379.3

[M+HCOO]-

1230.1571

359.1

[M+CH3COO]-

1244.1728

366.2

[M+Na-2H]-

1206.1336

351.5

[M]+

1185.1584

386.1

[M]-

1185.1594

386.1

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/a-25:0/a-25:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe