CID 137941

2,2-dimethoxybutane

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCC(C)(OC)OC

InChI

InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3

InChIKey

OXQHJIGWZNIQDS-UHFFFAOYSA-N

Compound name

2,2-dimethoxybutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 683
Patents: 118.09938 Da
Monoisotopic Mass: 1.2
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]+	119.106656	124.5
[M+Na]+	141.088598	132.2
[M-H]-	117.092104	125.2
[M+NH4]+	136.133203	147.5
[M+K]+	157.062538	133.5
[M+H-H2O]+	101.096640	120.7
[M+HCOO]-	163.097581	147.3
[M+CH3COO]-	177.113231	171.6
[M+Na-2H]-	139.074046	132.4
[M]+	118.09883142	128.3
[M]-	118.09992858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe