CID 3071115

87299-55-6

Structural Information

Molecular Formula
C23H40O
SMILES
CC1(CCC2C(CC(OC2C1)C3CCCCC3)C4CCCCC4)C
InChI
InChI=1S/C23H40O/c1-23(2)14-13-19-20(17-9-5-3-6-10-17)15-21(24-22(19)16-23)18-11-7-4-8-12-18/h17-22H,3-16H2,1-2H3
InChIKey
HXAXUECAAWCJSH-UHFFFAOYSA-N
Compound name
2,4-dicyclohexyl-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.30792 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.315196 188.2
[M+Na]+ 355.297138 186.1
[M-H]- 331.300644 195.2
[M+NH4]+ 350.341743 202.3
[M+K]+ 371.271078 182.7
[M+H-H2O]+ 315.305180 178.3
[M+HCOO]- 377.306121 193.7
[M+CH3COO]- 391.321771 194.1
[M+Na-2H]- 353.282586 184.6
[M]+ 332.30737142 173.6
[M]- 332.30846858 173.6
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

No patent data available for this compound.