PubChemLite - Tg(i-24:0/a-25:0/i-16:0)[rac] (C68H132O6)

Structural Information

Molecular Formula

SMILES

CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C

InChI

InChI=1S/C68H132O6/c1-7-64(6)56-50-44-38-32-25-21-17-13-9-11-15-19-23-27-35-41-47-53-59-68(71)74-65(61-73-67(70)58-52-46-40-34-29-28-31-37-43-49-55-63(4)5)60-72-66(69)57-51-45-39-33-26-22-18-14-10-8-12-16-20-24-30-36-42-48-54-62(2)3/h62-65H,7-61H2,1-6H3/t64?,65-/m0/s1

InChIKey

IUKUDHADDZXRIJ-MZOVCEAQSA-N

Compound name

[(2S)-1-(14-methylpentadecanoyloxy)-3-(22-methyltricosanoyloxy)propan-2-yl] 22-methyltetracosanoate

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]+	1046.0097	353.3
[M+Na]+	1067.9916	356.0
[M-H]-	1043.9951	335.6
[M+NH4]+	1063.0362	365.2
[M+K]+	1083.9656	371.9
[M+H-H2O]+	1027.9997	354.4
[M+HCOO]-	1090.0006	336.6
[M+CH3COO]-	1104.0163	345.3
[M+Na-2H]-	1065.9771	328.8
[M]+	1045.0019	358.3
[M]-	1045.0029	358.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1046.0097

353.3

[M+Na]+

1067.9916

356.0

[M-H]-

1043.9951

335.6

[M+NH4]+

1063.0362

365.2

[M+K]+

1083.9656

371.9

[M+H-H2O]+

1027.9997

354.4

[M+HCOO]-

1090.0006

336.6

[M+CH3COO]-

1104.0163

345.3

[M+Na-2H]-

1065.9771

328.8

[M]+

1045.0019

358.3

[M]-

1045.0029

358.3

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

Tg(i-24:0/a-25:0/i-16:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe