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 178.6
[M+Na]+ 337.21380 180.4
[M-H]- 313.21730 189.4
[M+NH4]+ 332.25840 193.5
[M+K]+ 353.18774 178.3
[M+H-H2O]+ 297.22184 170.2
[M+HCOO]- 359.22278 191.0
[M+CH3COO]- 373.23843 187.6
[M+Na-2H]- 335.19925 177.9
[M]+ 314.22403 169.9
[M]- 314.22513 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

patents stripe