CID 31448

4,4,6-trimethyl-2-vinyl-1,3-dioxane

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1CC(OC(O1)C=C)(C)C
InChI
InChI=1S/C9H16O2/c1-5-8-10-7(2)6-9(3,4)11-8/h5,7-8H,1,6H2,2-4H3
InChIKey
XLVQNXPLYGVRKU-UHFFFAOYSA-N
Compound name
2-ethenyl-4,4,6-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

156.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 131.7
[M+Na]+ 179.10426 139.3
[M-H]- 155.10776 136.8
[M+NH4]+ 174.14886 152.7
[M+K]+ 195.07820 140.8
[M+H-H2O]+ 139.11230 127.7
[M+HCOO]- 201.11324 150.8
[M+CH3COO]- 215.12889 177.5
[M+Na-2H]- 177.08971 139.1
[M]+ 156.11449 132.0
[M]- 156.11559 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe