CID 109256

68258-94-6

Structural Information

Molecular Formula
C16H28O2
SMILES
CC1CC(OC(O1)C=C(C)CCC=C(C)C)(C)C
InChI
InChI=1S/C16H28O2/c1-12(2)8-7-9-13(3)10-15-17-14(4)11-16(5,6)18-15/h8,10,14-15H,7,9,11H2,1-6H3
InChIKey
GBKILRGXNOCUTQ-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylhepta-1,5-dienyl)-4,4,6-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 164.4
[M+Na]+ 275.19814 174.3
[M+NH4]+ 270.24274 172.7
[M+K]+ 291.17208 167.0
[M-H]- 251.20164 167.8
[M+Na-2H]- 273.18359 167.1
[M]+ 252.20837 166.8
[M]- 252.20947 166.8
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.