CID 3068925

84006-15-5

Structural Information

Molecular Formula

C₂₆H₅₀O₄

SMILES

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCCCCC

InChI

InChI=1S/C26H50O4/c1-5-7-9-11-13-15-17-19-21-25(27)29-23(3)24(4)30-26(28)22-20-18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3

InChIKey

VPYGKOMKNKKKCR-UHFFFAOYSA-N

Compound name

3-undecanoyloxybutan-2-yl undecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 426.3709 Da
Monoisotopic Mass: 10.1
XlogP (predicted)

Profile

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]+	427.378176	220.6
[M+Na]+	449.360118	227.1
[M-H]-	425.363624	209.7
[M+NH4]+	444.404723	224.2
[M+K]+	465.334058	216.6
[M+H-H2O]+	409.368160	212.5
[M+HCOO]-	471.369101	223.9
[M+CH3COO]-	485.384751	234.4
[M+Na-2H]-	447.345566	212.3
[M]+	426.37035142	220.5
[M]-	426.37144858	220.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.