CID 3104707

66227-32-5

Structural Information

Molecular Formula
C19H28O
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C19H28O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h11-14,16,18H,3-10H2,1-2H3
InChIKey
ALIWXHRFAQHUSM-UHFFFAOYSA-N
Compound name
1-[4-(4-pentylcyclohexyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

272.21402 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22130 168.7
[M+Na]+ 295.20324 171.9
[M-H]- 271.20674 173.8
[M+NH4]+ 290.24784 184.8
[M+K]+ 311.17718 167.9
[M+H-H2O]+ 255.21128 161.0
[M+HCOO]- 317.21222 186.5
[M+CH3COO]- 331.22787 202.4
[M+Na-2H]- 293.18869 168.4
[M]+ 272.21347 166.1
[M]- 272.21457 166.1
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