CID 20465357

4chet2op

Structural Information

Molecular Formula
C20H32O
SMILES
CCCCC1CCC(CC1)CCC2=CC=C(C=C2)OCC
InChI
InChI=1S/C20H32O/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-4-2/h13-18H,3-12H2,1-2H3
InChIKey
ZZNBLOLFOQAYLI-UHFFFAOYSA-N
Compound name
1-[2-(4-butylcyclohexyl)ethyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.24533 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 174.6
[M+Na]+ 311.23455 177.3
[M-H]- 287.23805 179.3
[M+NH4]+ 306.27915 190.1
[M+K]+ 327.20849 173.1
[M+H-H2O]+ 271.24259 166.3
[M+HCOO]- 333.24353 192.8
[M+CH3COO]- 347.25918 205.4
[M+Na-2H]- 309.22000 174.8
[M]+ 288.24478 173.6
[M]- 288.24588 173.6
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