PubChemLite - Tracylglycerol(20:1/20:0/20:1) (C63H118O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,60H,4-24,27,30-59H2,1-3H3/b28-25-,29-26-

InChIKey

HIBOOXQOVDHKOV-RZEXXKRKSA-N

Compound name

1,3-bis[[(Z)-icos-11-enoyl]oxy]propan-2-yl icosanoate

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]+	971.90008	344.3
[M+Na]+	993.88202	343.0
[M+NH4]+	988.92662	346.2
[M+K]+	1009.8560	348.3
[M-H]-	969.88552	324.5
[M+Na-2H]-	991.86747	336.1
[M]+	970.89225	340.0
[M]-	970.89335	340.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

971.90008

344.3

[M+Na]+

993.88202

343.0

[M+NH4]+

988.92662

346.2

[M+K]+

1009.8560

348.3

[M-H]-

969.88552

324.5

[M+Na-2H]-

991.86747

336.1

[M]+

970.89225

340.0

[M]-

970.89335

340.0

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

Tracylglycerol(20:1/20:0/20:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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