CID 14269

4-methyl-1,3-dioxane

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1CCOCO1

InChI

InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3

InChIKey

INCCMBMMWVKEGJ-UHFFFAOYSA-N

Compound name

4-methyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2341
Patents: 102.06808 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]+	103.07536	117.7
[M+Na]+	125.05730	129.6
[M+NH4]+	120.10190	127.1
[M+K]+	141.03124	124.7
[M-H]-	101.06080	122.4
[M+Na-2H]-	123.04275	123.1
[M]+	102.06753	120.7
[M]-	102.06863	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe