PubChemLite - Tg(i-24:0/a-25:0/a-15:0)[rac] (C67H130O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C67H130O6/c1-7-62(5)54-48-42-36-30-26-22-18-14-10-12-16-20-24-28-32-40-46-52-58-67(70)73-64(60-72-66(69)57-51-45-39-34-33-37-43-49-55-63(6)8-2)59-71-65(68)56-50-44-38-31-27-23-19-15-11-9-13-17-21-25-29-35-41-47-53-61(3)4/h61-64H,7-60H2,1-6H3/t62?,63?,64-/m0/s1

InChIKey

SBYJEOMGQKFDIQ-HFOCLLNPSA-N

Compound name

[(2S)-1-(12-methyltetradecanoyloxy)-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]+	1031.9940	350.6
[M+Na]+	1053.9759	353.5
[M-H]-	1029.9794	333.3
[M+NH4]+	1049.0205	362.5
[M+K]+	1069.9499	369.0
[M+H-H2O]+	1013.9840	351.8
[M+HCOO]-	1075.9849	334.3
[M+CH3COO]-	1090.0006	343.1
[M+Na-2H]-	1051.9614	326.5
[M]+	1030.9862	355.4
[M]-	1030.9872	355.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1031.9940

350.6

[M+Na]+

1053.9759

353.5

[M-H]-

1029.9794

333.3

[M+NH4]+

1049.0205

362.5

[M+K]+

1069.9499

369.0

[M+H-H2O]+

1013.9840

351.8

[M+HCOO]-

1075.9849

334.3

[M+CH3COO]-

1090.0006

343.1

[M+Na-2H]-

1051.9614

326.5

[M]+

1030.9862

355.4

[M]-

1030.9872

355.4

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/a-15:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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