CID 101232052

8-[4-(4-methylphenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C21H30O2
SMILES
CC1=CC=C(C=C1)C2CCC(CC2)C3CCC4(CC3)OCCO4
InChI
InChI=1S/C21H30O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-23-21/h2-5,18-20H,6-15H2,1H3
InChIKey
UVQAZWLRGGVDAH-UHFFFAOYSA-N
Compound name
8-[4-(4-methylphenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.22458 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 179.7
[M+Na]+ 337.21380 191.4
[M+NH4]+ 332.25840 191.0
[M+K]+ 353.18774 183.3
[M-H]- 313.21730 189.8
[M+Na-2H]- 335.19925 186.9
[M]+ 314.22403 184.5
[M]- 314.22513 184.5
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