PubChemLite - Tracylglycerol(20:1/22:0/20:1) (C65H122O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,62H,4-25,28,31-61H2,1-3H3/b29-26-,30-27-

InChIKey

CCNYJCYZEPHWLM-MIFGFRIJSA-N

Compound name

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

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]+	999.93141	350.1
[M+Na]+	1021.9133	348.7
[M+NH4]+	1016.9580	352.0
[M+K]+	1037.8873	354.3
[M-H]-	997.91685	329.7
[M+Na-2H]-	1019.8988	341.3
[M]+	998.92358	345.7
[M]-	998.92468	345.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

999.93141

350.1

[M+Na]+

1021.9133

348.7

[M+NH4]+

1016.9580

352.0

[M+K]+

1037.8873

354.3

[M-H]-

997.91685

329.7

[M+Na-2H]-

1019.8988

341.3

[M]+

998.92358

345.7

[M]-

998.92468

345.7

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

Tracylglycerol(20:1/22:0/20:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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