CID 110896

6542-56-9

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC1CCOC(O1)C=C

InChI

InChI=1S/C7H12O2/c1-3-7-8-5-4-6(2)9-7/h3,6-7H,1,4-5H2,2H3

InChIKey

VHBVURHYXATORH-UHFFFAOYSA-N

Compound name

2-ethenyl-4-methyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 128.08372 Da
Monoisotopic Mass: 1.3
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]+	129.090996	125.2
[M+Na]+	151.072938	131.7
[M-H]-	127.076444	129.8
[M+NH4]+	146.117543	144.8
[M+K]+	167.046878	133.3
[M+H-H2O]+	111.080980	120.2
[M+HCOO]-	173.081921	144.9
[M+CH3COO]-	187.097571	170.7
[M+Na-2H]-	149.058386	132.9
[M]+	128.08317142	123.9
[M]-	128.08426858	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe