PubChemLite - Tracylglycerol(24:1/24:0/24:1) (C75H142O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C75H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,72H,4-24,27,30-71H2,1-3H3/b28-25-,29-26-

InChIKey

LZUICRHQPQRJES-RZEXXKRKSA-N

Compound name

1,3-bis[[(Z)-tetracos-15-enoyl]oxy]propan-2-yl tetracosanoate

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]+	1140.0880	369.9
[M+Na]+	1162.0699	371.1
[M-H]-	1138.0734	346.7
[M+NH4]+	1157.1145	377.5
[M+K]+	1178.0439	387.3
[M+H-H2O]+	1122.0780	368.8
[M+HCOO]-	1184.0789	359.8
[M+CH3COO]-	1198.0946	357.9
[M+Na-2H]-	1160.0554	342.2
[M]+	1139.0802	374.7
[M]-	1139.0812	374.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1140.0880

369.9

[M+Na]+

1162.0699

371.1

[M-H]-

1138.0734

346.7

[M+NH4]+

1157.1145

377.5

[M+K]+

1178.0439

387.3

[M+H-H2O]+

1122.0780

368.8

[M+HCOO]-

1184.0789

359.8

[M+CH3COO]-

1198.0946

357.9

[M+Na-2H]-

1160.0554

342.2

[M]+

1139.0802

374.7

[M]-

1139.0812

374.7

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

Tracylglycerol(24:1/24:0/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe