CID 87715

18594-05-3

Structural Information

Molecular Formula
C14H18O
SMILES
CC(=O)C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey
MSDQNIRGPBARGC-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

202.13577 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 147.5
[M+Na]+ 225.12499 160.4
[M+NH4]+ 220.16959 157.2
[M+K]+ 241.09893 152.7
[M-H]- 201.12849 152.3
[M+Na-2H]- 223.11044 155.5
[M]+ 202.13522 150.7
[M]- 202.13632 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe