CID 22886327

Schembl14365576

Structural Information

Molecular Formula
C25H46O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)COC3CCC(CC3)CCC
InChI
InChI=1S/C25H46O/c1-3-5-20-7-13-23(14-8-20)24-15-9-22(10-16-24)19-26-25-17-11-21(6-4-2)12-18-25/h20-25H,3-19H2,1-2H3
InChIKey
ADSRPRBWAAZCRX-UHFFFAOYSA-N
Compound name
1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

362.35486 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.36214 200.0
[M+Na]+ 385.34408 209.0
[M+NH4]+ 380.38868 209.0
[M+K]+ 401.31802 199.1
[M-H]- 361.34758 206.5
[M+Na-2H]- 383.32953 203.7
[M]+ 362.35431 203.0
[M]- 362.35541 203.0
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

patents stripe