CID 104487

1,1-diethoxydodecane

Structural Information

Molecular Formula

C₁₆H₃₄O₂

SMILES

CCCCCCCCCCCC(OCC)OCC

InChI

InChI=1S/C16H34O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h16H,4-15H2,1-3H3

InChIKey

CHURJRSXCYIYQX-UHFFFAOYSA-N

Compound name

1,1-diethoxydodecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 22
Patents: 258.2559 Da
Monoisotopic Mass: 6.4
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]+	259.26318	168.5
[M+Na]+	281.24512	176.8
[M+NH4]+	276.28972	175.0
[M+K]+	297.21906	169.3
[M-H]-	257.24862	167.6
[M+Na-2H]-	279.23057	169.8
[M]+	258.25535	169.2
[M]-	258.25645	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe