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
2
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]+ 267.231856 169.4
[M+Na]+ 289.213798 172.6
[M-H]- 265.217304 172.7
[M+NH4]+ 284.258403 185.5
[M+K]+ 305.187738 172.4
[M+H-H2O]+ 249.221840 163.9
[M+HCOO]- 311.222781 184.0
[M+CH3COO]- 325.238431 200.1
[M+Na-2H]- 287.199246 170.5
[M]+ 266.22403142 169.9
[M]- 266.22512858 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.