PubChemLite - Tracylglycerol(14:1/22:4/24:1) (C63H110O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,35,39,42,60H,4-14,16,19,21-23,28-31,33-34,36-38,40-41,43-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,35-32-,42-39-/t60-/m0/s1

InChIKey

FZZMMDPBSSQSEG-XQVJMJGESA-N

Compound name

[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (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]+	963.83754	337.7
[M+Na]+	985.81948	338.3
[M+NH4]+	980.86408	339.6
[M+K]+	1001.7934	342.9
[M-H]-	961.82298	320.9
[M+Na-2H]-	983.80493	331.1
[M]+	962.82971	334.6
[M]-	962.83081	334.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

963.83754

337.7

[M+Na]+

985.81948

338.3

[M+NH4]+

980.86408

339.6

[M+K]+

1001.7934

342.9

[M-H]-

961.82298

320.9

[M+Na-2H]-

983.80493

331.1

[M]+

962.82971

334.6

[M]-

962.83081

334.6

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

Tracylglycerol(14:1/22:4/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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