CID 111275

7212-99-9

Structural Information

Molecular Formula
C17H30O2
SMILES
CCCC1(COC(OC1)C=C(C)CCC=C(C)C)C
InChI
InChI=1S/C17H30O2/c1-6-10-17(5)12-18-16(19-13-17)11-15(4)9-7-8-14(2)3/h8,11,16H,6-7,9-10,12-13H2,1-5H3
InChIKey
RIIZJSVMCGCUBU-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylhepta-1,5-dienyl)-5-methyl-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 169.4
[M+Na]+ 289.21380 172.6
[M-H]- 265.21730 172.7
[M+NH4]+ 284.25840 185.5
[M+K]+ 305.18774 172.4
[M+H-H2O]+ 249.22184 163.9
[M+HCOO]- 311.22278 184.0
[M+CH3COO]- 325.23843 200.1
[M+Na-2H]- 287.19925 170.5
[M]+ 266.22403 169.9
[M]- 266.22513 169.9
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.