PubChemLite - Tg(i-24:0/i-24:0/i-24:0) (C75H146O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C75H146O6/c1-69(2)61-55-49-43-37-31-25-19-13-7-10-16-22-28-34-40-46-52-58-64-73(76)79-67-72(81-75(78)66-60-54-48-42-36-30-24-18-12-9-15-21-27-33-39-45-51-57-63-71(5)6)68-80-74(77)65-59-53-47-41-35-29-23-17-11-8-14-20-26-32-38-44-50-56-62-70(3)4/h69-72H,7-68H2,1-6H3

InChIKey

SXJBLCDUPTYDNA-UHFFFAOYSA-N

Compound name

2,3-bis(22-methyltricosanoyloxy)propyl 22-methyltricosanoate

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]+	1144.1192	371.3
[M+Na]+	1166.1011	373.1
[M-H]-	1142.1046	351.3
[M+NH4]+	1161.1457	383.4
[M+K]+	1182.0751	391.7
[M+H-H2O]+	1126.1092	372.1
[M+HCOO]-	1188.1101	352.5
[M+CH3COO]-	1202.1258	360.1
[M+Na-2H]-	1164.0866	344.9
[M]+	1143.1114	377.9
[M]-	1143.1124	377.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1144.1192

371.3

[M+Na]+

1166.1011

373.1

[M-H]-

1142.1046

351.3

[M+NH4]+

1161.1457

383.4

[M+K]+

1182.0751

391.7

[M+H-H2O]+

1126.1092

372.1

[M+HCOO]-

1188.1101

352.5

[M+CH3COO]-

1202.1258

360.1

[M+Na-2H]-

1164.0866

344.9

[M]+

1143.1114

377.9

[M]-

1143.1124

377.9

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

Tg(i-24:0/i-24:0/i-24:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe