CID 83277

5,5-dimethyl-2-vinyl-1,3-dioxane

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1(COC(OC1)C=C)C

InChI

InChI=1S/C8H14O2/c1-4-7-9-5-8(2,3)6-10-7/h4,7H,1,5-6H2,2-3H3

InChIKey

QTKAQSUDWKTUTM-UHFFFAOYSA-N

Compound name

2-ethenyl-5,5-dimethyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 142.09938 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]+	143.106656	128.1
[M+Na]+	165.088598	135.1
[M-H]-	141.092104	132.9
[M+NH4]+	160.133203	149.2
[M+K]+	181.062538	136.9
[M+H-H2O]+	125.096640	123.9
[M+HCOO]-	187.097581	147.5
[M+CH3COO]-	201.113231	173.3
[M+Na-2H]-	163.074046	136.6
[M]+	142.09883142	127.5
[M]-	142.09992858	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe