PubChemLite - 81913-24-8 (C75H140O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C75H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-73(76)79-70-72(81-75(78)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,72H,4-24,31-71H2,1-3H3/b28-25-,29-26-,30-27-

InChIKey

KOBUHTMAMVEYSR-IUPFWZBJSA-N

Compound name

2,3-bis[[(Z)-tetracos-15-enoyl]oxy]propyl (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]+	1138.0723	367.6
[M+Na]+	1160.0542	369.5
[M-H]-	1136.0577	345.2
[M+NH4]+	1155.0988	375.6
[M+K]+	1176.0282	385.3
[M+H-H2O]+	1120.0623	366.6
[M+HCOO]-	1182.0632	358.4
[M+CH3COO]-	1196.0789	357.2
[M+Na-2H]-	1158.0397	340.4
[M]+	1137.0645	372.3
[M]-	1137.0655	372.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1138.0723

367.6

[M+Na]+

1160.0542

369.5

[M-H]-

1136.0577

345.2

[M+NH4]+

1155.0988

375.6

[M+K]+

1176.0282

385.3

[M+H-H2O]+

1120.0623

366.6

[M+HCOO]-

1182.0632

358.4

[M+CH3COO]-

1196.0789

357.2

[M+Na-2H]-

1158.0397

340.4

[M]+

1137.0645

372.3

[M]-

1137.0655

372.3

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

81913-24-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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