CID 11971173

4-methylene-2-propyl-1,3-dioxane

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCC1OCCC(=C)O1

InChI

InChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h8H,2-6H2,1H3

InChIKey

FAGLUDRGGWLUKA-UHFFFAOYSA-N

Compound name

4-methylidene-2-propyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.09938 Da
Monoisotopic Mass: 2.1
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]+	143.106656	129.9
[M+Na]+	165.088598	136.0
[M-H]-	141.092104	134.3
[M+NH4]+	160.133203	149.0
[M+K]+	181.062538	137.4
[M+H-H2O]+	125.096640	124.8
[M+HCOO]-	187.097581	149.3
[M+CH3COO]-	201.113231	173.8
[M+Na-2H]-	163.074046	137.1
[M]+	142.09883142	129.0
[M]-	142.09992858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe