CID 3067879

Chroman, hexahydro-2,4-dicyclohexyl-

Structural Information

Molecular Formula
C21H36O
SMILES
C1CCC(CC1)C2CC(OC3C2CCCC3)C4CCCCC4
InChI
InChI=1S/C21H36O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h16-21H,1-15H2
InChIKey
LWPGOKHJYHINLT-UHFFFAOYSA-N
Compound name
2,4-dicyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2766 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.28388 181.5
[M+Na]+ 327.26582 191.3
[M+NH4]+ 322.31042 192.1
[M+K]+ 343.23976 182.3
[M-H]- 303.26932 190.1
[M+Na-2H]- 325.25127 185.3
[M]+ 304.27605 185.2
[M]- 304.27715 185.2
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.