PubChemLite - Tracylglycerol(22:1/24:1/22:1) (C71H132O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C71H132O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h25-30,68H,4-24,31-67H2,1-3H3/b28-25-,29-26-,30-27-

InChIKey

SJDVHZXPUNYTQO-IUPFWZBJSA-N

Compound name

1,3-bis[[(Z)-docos-13-enoyl]oxy]propan-2-yl (Z)-tetracos-15-enoate

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]+	1082.0097	365.7
[M+Na]+	1103.9916	364.1
[M+NH4]+	1099.0362	367.4
[M+K]+	1119.9656	370.7
[M-H]-	1079.9951	344.1
[M+Na-2H]-	1101.9771	355.5
[M]+	1081.0019	361.2
[M]-	1081.0029	361.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1082.0097

365.7

[M+Na]+

1103.9916

364.1

[M+NH4]+

1099.0362

367.4

[M+K]+

1119.9656

370.7

[M-H]-

1079.9951

344.1

[M+Na-2H]-

1101.9771

355.5

[M]+

1081.0019

361.2

[M]-

1081.0029

361.2

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

Tracylglycerol(22:1/24:1/22:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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