PubChemLite - Tg(38:1) (C41H76O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C41H76O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h13,16,38H,4-12,14-15,17-37H2,1-3H3/b16-13-/t38-/m1/s1

InChIKey

JDQBYXSVBWZGCO-UFGQLICCSA-N

Compound name

[(2R)-2,3-di(dodecanoyloxy)propyl] (Z)-tetradec-9-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]+	665.57148	272.7
[M+Na]+	687.55342	278.6
[M-H]-	663.55692	260.8
[M+NH4]+	682.59802	279.9
[M+K]+	703.52736	281.6
[M+H-H2O]+	647.56146	274.3
[M+HCOO]-	709.56240	273.6
[M+CH3COO]-	723.57805	276.9
[M+Na-2H]-	685.53887	256.1
[M]+	664.56365	273.5
[M]-	664.56475	273.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

665.57148

272.7

[M+Na]+

687.55342

278.6

[M-H]-

663.55692

260.8

[M+NH4]+

682.59802

279.9

[M+K]+

703.52736

281.6

[M+H-H2O]+

647.56146

274.3

[M+HCOO]-

709.56240

273.6

[M+CH3COO]-

723.57805

276.9

[M+Na-2H]-

685.53887

256.1

[M]+

664.56365

273.5

[M]-

664.56475

273.5

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

Tg(38:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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