CID 3067887

Brn 5269244

Structural Information

Molecular Formula
C22H38O2
SMILES
COC1CCC(CC1)C2CC(C3CCCCC3O2)C4CCCCC4
InChI
InChI=1S/C22H38O2/c1-23-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24-22/h16-22H,2-15H2,1H3
InChIKey
QJPJMCLHKCMFOK-UHFFFAOYSA-N
Compound name
4-cyclohexyl-2-(4-methoxycyclohexyl)-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

334.28717 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 185.9
[M+Na]+ 357.27639 183.0
[M-H]- 333.27989 192.7
[M+NH4]+ 352.32099 197.7
[M+K]+ 373.25033 180.1
[M+H-H2O]+ 317.28443 176.0
[M+HCOO]- 379.28537 191.9
[M+CH3COO]- 393.30102 191.7
[M+Na-2H]- 355.26184 182.2
[M]+ 334.28662 172.2
[M]- 334.28772 172.2
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.