CID 16070752

117933-89-8

Structural Information

Molecular Formula
C17H30O2
SMILES
CCC(C)C1(COC(OC1)C2CCC(=CC2C)C)C
InChI
InChI=1S/C17H30O2/c1-6-14(4)17(5)10-18-16(19-11-17)15-8-7-12(2)9-13(15)3/h9,13-16H,6-8,10-11H2,1-5H3
InChIKey
DASQRZJTRKBKPP-UHFFFAOYSA-N
Compound name
5-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1886
Patents

266.22458 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 166.8
[M+Na]+ 289.21380 170.7
[M-H]- 265.21730 173.7
[M+NH4]+ 284.25840 182.9
[M+K]+ 305.18774 171.1
[M+H-H2O]+ 249.22184 160.4
[M+HCOO]- 311.22278 180.5
[M+CH3COO]- 325.23843 201.0
[M+Na-2H]- 287.19925 168.0
[M]+ 266.22403 164.8
[M]- 266.22513 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe