CID 3067879

82315-12-6

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 178.0
[M+Na]+ 327.26582 174.7
[M-H]- 303.26932 184.6
[M+NH4]+ 322.31042 190.8
[M+K]+ 343.23976 171.4
[M+H-H2O]+ 287.27386 168.2
[M+HCOO]- 349.27480 184.2
[M+CH3COO]- 363.29045 184.0
[M+Na-2H]- 325.25127 175.3
[M]+ 304.27605 162.1
[M]- 304.27715 162.1
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.