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]+ 315.231856 178.6
[M+Na]+ 337.213798 180.4
[M-H]- 313.217304 189.4
[M+NH4]+ 332.258403 193.5
[M+K]+ 353.187738 178.3
[M+H-H2O]+ 297.221840 170.2
[M+HCOO]- 359.222781 191.0
[M+CH3COO]- 373.238431 187.6
[M+Na-2H]- 335.199246 177.9
[M]+ 314.22403142 169.9
[M]- 314.22512858 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

patents stripe