CID 3071115

Brn 5007951

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]+ 333.31520 188.2
[M+Na]+ 355.29714 186.1
[M-H]- 331.30064 195.2
[M+NH4]+ 350.34174 202.3
[M+K]+ 371.27108 182.7
[M+H-H2O]+ 315.30518 178.3
[M+HCOO]- 377.30612 193.7
[M+CH3COO]- 391.32177 194.1
[M+Na-2H]- 353.28259 184.6
[M]+ 332.30737 173.6
[M]- 332.30847 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.