PubChemLite - Tg(10:0/a-25:0/i-12:0)[rac] (C50H96O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC

InChI

InChI=1S/C50H96O6/c1-6-8-9-10-23-30-35-40-48(51)54-43-47(44-55-49(52)41-36-31-27-26-28-33-38-45(3)4)56-50(53)42-37-32-25-22-20-18-16-14-12-11-13-15-17-19-21-24-29-34-39-46(5)7-2/h45-47H,6-44H2,1-5H3/t46?,47-/m0/s1

InChIKey

YSLZFKVJGFJFBV-BRQCZXMFSA-N

Compound name

[(2S)-1-decanoyloxy-3-(10-methylundecanoyloxy)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]+	793.72798	309.7
[M+Na]+	815.70992	308.7
[M+NH4]+	810.75452	313.7
[M+K]+	831.68386	311.7
[M-H]-	791.71342	294.9
[M+Na-2H]-	813.69537	305.2
[M]+	792.72015	306.6
[M]-	792.72125	306.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.72798

309.7

[M+Na]+

815.70992

308.7

[M+NH4]+

810.75452

313.7

[M+K]+

831.68386

311.7

[M-H]-

791.71342

294.9

[M+Na-2H]-

813.69537

305.2

[M]+

792.72015

306.6

[M]-

792.72125

306.6

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

Tg(10:0/a-25:0/i-12:0)[rac]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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