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

2
Patents

288.24533 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 174.6
[M+Na]+ 311.234548 177.3
[M-H]- 287.238054 179.3
[M+NH4]+ 306.279153 190.1
[M+K]+ 327.208488 173.1
[M+H-H2O]+ 271.242590 166.3
[M+HCOO]- 333.243531 192.8
[M+CH3COO]- 347.259181 205.4
[M+Na-2H]- 309.219996 174.8
[M]+ 288.24478142 173.6
[M]- 288.24587858 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