CID 108345

1,3-dioxane, 4-methyl-2-(2-methyl-1-propenyl)-

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1CCOC(O1)C=C(C)C
InChI
InChI=1S/C9H16O2/c1-7(2)6-9-10-5-4-8(3)11-9/h6,8-9H,4-5H2,1-3H3
InChIKey
MIHZNPXEZUDVDZ-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylprop-1-enyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.3
[M+Na]+ 179.10426 140.8
[M-H]- 155.10776 139.6
[M+NH4]+ 174.14886 153.8
[M+K]+ 195.07820 142.3
[M+H-H2O]+ 139.11230 130.0
[M+HCOO]- 201.11324 153.3
[M+CH3COO]- 215.12889 177.0
[M+Na-2H]- 177.08971 140.6
[M]+ 156.11449 134.0
[M]- 156.11559 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe