CID 13911431

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

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(OCC(=C)CO1)C
InChI
InChI=1S/C7H12O2/c1-6-4-8-7(2,3)9-5-6/h1,4-5H2,2-3H3
InChIKey
CZYIDMJZUDXWET-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-methylidene-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.1
[M+Na]+ 151.07294 137.2
[M+NH4]+ 146.11754 135.4
[M+K]+ 167.04688 130.2
[M-H]- 127.07644 129.6
[M+Na-2H]- 149.05839 131.2
[M]+ 128.08317 128.2
[M]- 128.08427 128.2
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