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 163.4
[M+Na]+ 275.19814 168.0
[M-H]- 251.20164 167.3
[M+NH4]+ 270.24274 180.4
[M+K]+ 291.17208 168.0
[M+H-H2O]+ 235.20618 158.4
[M+HCOO]- 297.20712 178.3
[M+CH3COO]- 311.22277 198.4
[M+Na-2H]- 273.18359 164.5
[M]+ 252.20837 164.0
[M]- 252.20947 164.0
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

No patent data available for this compound.