CID 559130

(trans,trans)-4-ethoxy-4'-propyl-1,1'-bicyclohexyl

Structural Information

Molecular Formula
C17H32O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)OCC
InChI
InChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3
InChIKey
WFNGXXFOYRNZIV-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

252.24532 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 166.2
[M+Na]+ 275.23454 167.1
[M-H]- 251.23804 170.4
[M+NH4]+ 270.27914 182.9
[M+K]+ 291.20848 164.3
[M+H-H2O]+ 235.24258 158.6
[M+HCOO]- 297.24352 181.0
[M+CH3COO]- 311.25917 197.6
[M+Na-2H]- 273.21999 165.0
[M]+ 252.24477 159.8
[M]- 252.24587 159.8
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