CID 20437989

Dtxsid30607147

Structural Information

Molecular Formula
C17H24O
SMILES
CCCC1CCC(CC1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H24O/c1-2-6-14-9-11-15(12-10-14)13-17(18)16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3
InChIKey
UBARRVOUSYRAME-UHFFFAOYSA-N
Compound name
1-phenyl-2-(4-propylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

244.18271 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.189986 160.2
[M+Na]+ 267.171928 163.3
[M-H]- 243.175434 165.3
[M+NH4]+ 262.216533 177.0
[M+K]+ 283.145868 159.7
[M+H-H2O]+ 227.179970 152.6
[M+HCOO]- 289.180911 178.6
[M+CH3COO]- 303.196561 195.3
[M+Na-2H]- 265.157376 161.6
[M]+ 244.18216142 156.4
[M]- 244.18325858 156.4
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