CID 32803

Dimethyldioxane

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1COC(CO1)C

InChI

InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3

InChIKey

AWBIJARKDOFDAN-UHFFFAOYSA-N

Compound name

2,5-dimethyl-1,4-dioxane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 2671
Patents: 116.08373 Da
Monoisotopic Mass: 0.6
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]+	117.091006	121.9
[M+Na]+	139.072948	128.5
[M-H]-	115.076454	126.6
[M+NH4]+	134.117553	142.0
[M+K]+	155.046888	131.0
[M+H-H2O]+	99.080990	117.1
[M+HCOO]-	161.081931	141.7
[M+CH3COO]-	175.097581	168.5
[M+Na-2H]-	137.058396	130.2
[M]+	116.08318142	120.9
[M]-	116.08427858	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe