CID 6437441

Einecs 269-498-7

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/b13-10+
InChIKey
GBKILRGXNOCUTQ-JLHYYAGUSA-N
Compound name
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4,4,6-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

252.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 163.4
[M+Na]+ 275.198138 168.0
[M-H]- 251.201644 167.3
[M+NH4]+ 270.242743 180.4
[M+K]+ 291.172078 168.0
[M+H-H2O]+ 235.206180 158.4
[M+HCOO]- 297.207121 178.3
[M+CH3COO]- 311.222771 198.4
[M+Na-2H]- 273.183586 164.5
[M]+ 252.20837142 164.0
[M]- 252.20946858 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

patents stripe