CID 53422437

1-(1-ethoxybutoxy)pentane

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCCCCOC(CCC)OCC

InChI

InChI=1S/C11H24O2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h11H,4-10H2,1-3H3

InChIKey

OKBUMDOJWAYJPW-UHFFFAOYSA-N

Compound name

1-(1-ethoxybutoxy)pentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 188.17763 Da
Monoisotopic Mass: 3.5
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]+	189.18491	146.4
[M+Na]+	211.16685	155.7
[M+NH4]+	206.21145	153.8
[M+K]+	227.14079	149.5
[M-H]-	187.17035	145.7
[M+Na-2H]-	209.15230	149.1
[M]+	188.17708	147.3
[M]-	188.17818	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.