CID 595182

1-ethoxy-4-(4-propylcyclohexyl)benzene

Structural Information

Molecular Formula
C17H26O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3
InChIKey
OXBRRUNAAVNTOZ-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

995
Patents

246.19836 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 160.9
[M+Na]+ 269.187578 164.9
[M-H]- 245.191084 166.3
[M+NH4]+ 264.232183 178.2
[M+K]+ 285.161518 161.5
[M+H-H2O]+ 229.195620 153.3
[M+HCOO]- 291.196561 180.1
[M+CH3COO]- 305.212211 196.4
[M+Na-2H]- 267.173026 162.8
[M]+ 246.19781142 158.8
[M]- 246.19890858 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe