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
2
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]+ 157.122316 135.3
[M+Na]+ 179.104258 140.8
[M-H]- 155.107764 139.6
[M+NH4]+ 174.148863 153.8
[M+K]+ 195.078198 142.3
[M+H-H2O]+ 139.112300 130.0
[M+HCOO]- 201.113241 153.3
[M+CH3COO]- 215.128891 177.0
[M+Na-2H]- 177.089706 140.6
[M]+ 156.11449142 134.0
[M]- 156.11558858 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