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

114
Patents

274.22968 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23696 170.0
[M+Na]+ 297.21890 173.2
[M-H]- 273.22240 175.0
[M+NH4]+ 292.26350 186.1
[M+K]+ 313.19284 169.3
[M+H-H2O]+ 257.22694 162.0
[M+HCOO]- 319.22788 188.6
[M+CH3COO]- 333.24353 202.4
[M+Na-2H]- 295.20435 170.9
[M]+ 274.22913 168.7
[M]- 274.23023 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