CID 585050

1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene

Structural Information

Molecular Formula
C19H30O
SMILES
CCCC1CCC(CC1)CCC2=CC=C(C=C2)OCC
InChI
InChI=1S/C19H30O/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3
InChIKey
APBBCFNZHALDSW-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

274.22968 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.236956 170.0
[M+Na]+ 297.218898 173.2
[M-H]- 273.222404 175.0
[M+NH4]+ 292.263503 186.1
[M+K]+ 313.192838 169.3
[M+H-H2O]+ 257.226940 162.0
[M+HCOO]- 319.227881 188.6
[M+CH3COO]- 333.243531 202.4
[M+Na-2H]- 295.204346 170.9
[M]+ 274.22913142 168.7
[M]- 274.23022858 168.7
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