PubChemLite - Tracylglycerol(24:1/24:1/18:0) (C69H132O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C69H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,67H,4-24,27,30-66H2,1-3H3/b28-25-,29-26-/t67-/m1/s1

InChIKey

DODDAJLFNOQDPF-METBABIRSA-N

Compound name

[(2R)-3-octadecoxy-2-[(Z)-tetracos-15-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]+	1042.0147	354.4
[M+Na]+	1063.9966	355.9
[M-H]-	1040.0001	330.2
[M+NH4]+	1059.0412	359.2
[M+K]+	1079.9706	369.9
[M+H-H2O]+	1024.0047	352.9
[M+HCOO]-	1086.0056	347.9
[M+CH3COO]-	1100.0213	344.4
[M+Na-2H]-	1061.9821	327.6
[M]+	1041.0069	357.2
[M]-	1041.0079	357.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1042.0147

354.4

[M+Na]+

1063.9966

355.9

[M-H]-

1040.0001

330.2

[M+NH4]+

1059.0412

359.2

[M+K]+

1079.9706

369.9

[M+H-H2O]+

1024.0047

352.9

[M+HCOO]-

1086.0056

347.9

[M+CH3COO]-

1100.0213

344.4

[M+Na-2H]-

1061.9821

327.6

[M]+

1041.0069

357.2

[M]-

1041.0079

357.2

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

Tracylglycerol(24:1/24:1/18:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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