CID 3020442

1-(1,1-diethoxyethoxy)butane

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCCOC(C)(OCC)OCC

InChI

InChI=1S/C10H22O3/c1-5-8-9-13-10(4,11-6-2)12-7-3/h5-9H2,1-4H3

InChIKey

URMLVTZNCGXLNB-UHFFFAOYSA-N

Compound name

1-(1,1-diethoxyethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.15689 Da
Monoisotopic Mass: 2.2
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	144.7
[M+Na]+	213.14611	153.8
[M+NH4]+	208.19071	151.5
[M+K]+	229.12005	148.7
[M-H]-	189.14961	143.0
[M+Na-2H]-	211.13156	147.4
[M]+	190.15634	145.4
[M]-	190.15744	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe