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
2
Annotation Hits

0
References

10
Patents

230.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.174346 154.9
[M+Na]+ 253.156288 159.4
[M-H]- 229.159794 160.6
[M+NH4]+ 248.200893 172.7
[M+K]+ 269.130228 156.1
[M+H-H2O]+ 213.164330 147.8
[M+HCOO]- 275.165271 173.7
[M+CH3COO]- 289.180921 193.4
[M+Na-2H]- 251.141736 156.3
[M]+ 230.16652142 151.2
[M]- 230.16761858 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