CID 4456634

313240-73-2

Structural Information

Molecular Formula
C16H22O
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H22O/c1-3-13-4-6-15(7-5-13)16-10-8-14(9-11-16)12(2)17/h8-11,13,15H,3-7H2,1-2H3
InChIKey
QEHKEQQMWGSFPB-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17435 154.9
[M+Na]+ 253.15629 159.4
[M-H]- 229.15979 160.6
[M+NH4]+ 248.20089 172.7
[M+K]+ 269.13023 156.1
[M+H-H2O]+ 213.16433 147.8
[M+HCOO]- 275.16527 173.7
[M+CH3COO]- 289.18092 193.4
[M+Na-2H]- 251.14174 156.3
[M]+ 230.16652 151.2
[M]- 230.16762 151.2
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