CID 3020469

1-(2,2-diethoxyethoxy)butane

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCCOCC(OCC)OCC

InChI

InChI=1S/C10H22O3/c1-4-7-8-11-9-10(12-5-2)13-6-3/h10H,4-9H2,1-3H3

InChIKey

YSBXHBNOIYKJKC-UHFFFAOYSA-N

Compound name

1-(2,2-diethoxyethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 190.15689 Da
Monoisotopic Mass: 1.9
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]+	191.16417	144.9
[M+Na]+	213.14611	153.9
[M+NH4]+	208.19071	151.8
[M+K]+	229.12005	148.4
[M-H]-	189.14961	143.7
[M+Na-2H]-	211.13156	147.3
[M]+	190.15634	145.6
[M]-	190.15744	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe