CID 3708293

93776-90-0

Structural Information

Molecular Formula
C15H28O2
SMILES
CC(CCC=C(C)C)CC1OCC(CO1)(C)C
InChI
InChI=1S/C15H28O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,13-14H,6,8-11H2,1-5H3
InChIKey
NBRLPXWLGXAHBK-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylhept-5-enyl)-5,5-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 161.6
[M+Na]+ 263.198138 165.3
[M-H]- 239.201644 165.2
[M+NH4]+ 258.242743 178.7
[M+K]+ 279.172078 166.1
[M+H-H2O]+ 223.206180 156.3
[M+HCOO]- 285.207121 176.6
[M+CH3COO]- 299.222771 195.6
[M+Na-2H]- 261.183586 163.7
[M]+ 240.20837142 162.2
[M]- 240.20946858 162.2
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.