CID 5354376

6413-74-7

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
2
Annotation Hits

0
References

1
Patents

170.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 136.7
[M+Na]+ 193.119898 143.9
[M-H]- 169.123404 141.6
[M+NH4]+ 188.164503 157.1
[M+K]+ 209.093838 145.1
[M+H-H2O]+ 153.127940 132.4
[M+HCOO]- 215.128881 155.4
[M+CH3COO]- 229.144531 179.9
[M+Na-2H]- 191.105346 143.5
[M]+ 170.13013142 137.1
[M]- 170.13122858 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.