CID 592861

Pyugyiyspuwpqu-uhfffaoysa-n

Structural Information

Molecular Formula

C₃₀H₅₄O₁₀

SMILES

CCOC(=O)CCCCCCCCCOC(=O)COCCOCC(=O)OCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C30H54O10/c1-3-37-27(31)19-15-11-7-5-9-13-17-21-39-29(33)25-35-23-24-36-26-30(34)40-22-18-14-10-6-8-12-16-20-28(32)38-4-2/h3-26H2,1-2H3

InChIKey

PYUGYIYSPUWPQU-UHFFFAOYSA-N

Compound name

ethyl 10-[2-[2-[2-(10-ethoxy-10-oxodecoxy)-2-oxoethoxy]ethoxy]acetyl]oxydecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 574.3717 Da
Monoisotopic Mass: 6.6
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]+	575.378976	249.0
[M+Na]+	597.360918	254.5
[M-H]-	573.364424	243.8
[M+NH4]+	592.405523	259.3
[M+K]+	613.334858	252.7
[M+H-H2O]+	557.368960	252.3
[M+HCOO]-	619.369901	254.0
[M+CH3COO]-	633.385551	253.7
[M+Na-2H]-	595.346366	235.2
[M]+	574.37115142	250.9
[M]-	574.37224858	250.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.