CID 3067881

82315-15-9

Structural Information

Molecular Formula
C22H38O2
SMILES
COC1CCC(CC1)C2CC(OC3C2CCCC3)C4CCCCC4
InChI
InChI=1S/C22H38O2/c1-23-18-13-11-16(12-14-18)20-15-22(17-7-3-2-4-8-17)24-21-10-6-5-9-19(20)21/h16-22H,2-15H2,1H3
InChIKey
PRBPTNGYYPZBHM-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4-(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

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.294446 185.9
[M+Na]+ 357.276388 183.0
[M-H]- 333.279894 192.7
[M+NH4]+ 352.320993 197.7
[M+K]+ 373.250328 180.1
[M+H-H2O]+ 317.284430 176.0
[M+HCOO]- 379.285371 191.9
[M+CH3COO]- 393.301021 191.7
[M+Na-2H]- 355.261836 182.2
[M]+ 334.28662142 172.2
[M]- 334.28771858 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.