86850-72-8 (C72H140O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C72H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-70(73)76-67-69(78-72(75)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-77-71(74)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h69H,4-68H2,1-3H3

InChIKey

JDRVRMABYZMJHK-UHFFFAOYSA-N

Compound name

2,3-di(tricosanoyloxy)propyl tricosanoate

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]+	1102.072276	366.9
[M+Na]+	1124.054218	367.4
[M-H]-	1100.057724	343.1
[M+NH4]+	1119.098823	374.0
[M+K]+	1140.028158	383.4
[M+H-H2O]+	1084.062260	365.9
[M+HCOO]-	1146.063201	356.1
[M+CH3COO]-	1160.078851	353.0
[M+Na-2H]-	1122.039666	339.0
[M]+	1101.06445142	371.5
[M]-	1101.06554858	371.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1102.072276

366.9

[M+Na]+

1124.054218

367.4

[M-H]-

1100.057724

343.1

[M+NH4]+

1119.098823

374.0

[M+K]+

1140.028158

383.4

[M+H-H2O]+

1084.062260

365.9

[M+HCOO]-

1146.063201

356.1

[M+CH3COO]-

1160.078851

353.0

[M+Na-2H]-

1122.039666

339.0

[M]+

1101.06445142

371.5

[M]-

1101.06554858

371.5

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

86850-72-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe