PubChemLite - Tg(a-25:0/i-24:0/i-24:0)[rac] (C76H148O6)

Structural Information

Molecular Formula

SMILES

CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C76H148O6/c1-7-72(6)64-58-52-46-40-34-28-22-16-10-13-18-24-30-36-42-48-54-60-66-75(78)81-69-73(82-76(79)67-61-55-49-43-37-31-25-19-12-9-15-21-27-33-39-45-51-57-63-71(4)5)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(2)3/h70-73H,7-69H2,1-6H3/t72?,73-/m1/s1

InChIKey

BIDWUDPYIUODNV-YBEVOGMVSA-N

Compound name

[(2R)-2,3-bis(22-methyltricosanoyloxy)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]+	1158.1349	373.8
[M+Na]+	1180.1168	375.5
[M-H]-	1156.1203	353.5
[M+NH4]+	1175.1614	385.9
[M+K]+	1196.0908	394.5
[M+H-H2O]+	1140.1249	374.5
[M+HCOO]-	1202.1258	354.7
[M+CH3COO]-	1216.1415	362.2
[M+Na-2H]-	1178.1023	347.1
[M]+	1157.1271	380.7
[M]-	1157.1281	380.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1158.1349

373.8

[M+Na]+

1180.1168

375.5

[M-H]-

1156.1203

353.5

[M+NH4]+

1175.1614

385.9

[M+K]+

1196.0908

394.5

[M+H-H2O]+

1140.1249

374.5

[M+HCOO]-

1202.1258

354.7

[M+CH3COO]-

1216.1415

362.2

[M+Na-2H]-

1178.1023

347.1

[M]+

1157.1271

380.7

[M]-

1157.1281

380.7

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/i-24:0/i-24:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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