CID 86680875

Cyclohexane, 2-(1-butoxyethoxy)-1-methylene-4-(1-methylethyl)-, (4r)-

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCOC(C)OC1C[C@@H](CCC1=C)C(C)C
InChI
InChI=1S/C16H30O2/c1-6-7-10-17-14(5)18-16-11-15(12(2)3)9-8-13(16)4/h12,14-16H,4,6-11H2,1-3,5H3/t14?,15-,16?/m1/s1
InChIKey
UGZCBILGRLFWEC-HWOWSKLDSA-N
Compound name
(4R)-2-(1-butoxyethoxy)-1-methylidene-4-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.22458 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 164.9
[M+Na]+ 277.21380 173.9
[M+NH4]+ 272.25840 172.1
[M+K]+ 293.18774 167.7
[M-H]- 253.21730 165.9
[M+Na-2H]- 275.19925 167.0
[M]+ 254.22403 166.2
[M]- 254.22513 166.2
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

patents stripe