CID 5354376

4,4,6-trimethyl-2-(1-propenyl)-1,3-dioxane

Structural Information

Molecular Formula
C10H18O2
SMILES
C/C=C/C1OC(CC(O1)(C)C)C
InChI
InChI=1S/C10H18O2/c1-5-6-9-11-8(2)7-10(3,4)12-9/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey
KYIPJDJFXLVIDL-AATRIKPKSA-N
Compound name
4,4,6-trimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 136.7
[M+Na]+ 193.11990 143.9
[M-H]- 169.12340 141.6
[M+NH4]+ 188.16450 157.1
[M+K]+ 209.09384 145.1
[M+H-H2O]+ 153.12794 132.4
[M+HCOO]- 215.12888 155.4
[M+CH3COO]- 229.14453 179.9
[M+Na-2H]- 191.10535 143.5
[M]+ 170.13013 137.1
[M]- 170.13123 137.1
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

No patent data available for this compound.