CID 12651581

Xi-1-butoxy-1-methoxyethane

Structural Information

Molecular Formula

C₇H₁₆O₂

SMILES

CCCCOC(C)OC

InChI

InChI=1S/C7H16O2/c1-4-5-6-9-7(2)8-3/h7H,4-6H2,1-3H3

InChIKey

DGUULUIJEFJCKG-UHFFFAOYSA-N

Compound name

1-(1-methoxyethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 132.11504 Da
Monoisotopic Mass: 1.7
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]+	133.12232	129.8
[M+Na]+	155.10426	136.4
[M-H]-	131.10776	130.0
[M+NH4]+	150.14886	152.1
[M+K]+	171.07820	137.4
[M+H-H2O]+	115.11230	125.2
[M+HCOO]-	177.11324	152.8
[M+CH3COO]-	191.12889	175.1
[M+Na-2H]-	153.08971	135.2
[M]+	132.11449	133.8
[M]-	132.11559	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe