CID 12837

Cyclohexyl phenyl ketone

Structural Information

Molecular Formula
C13H16O
SMILES
C1CCC(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
BMFYCFSWWDXEPB-UHFFFAOYSA-N
Compound name
cyclohexyl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

5843
Patents

188.12012 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 142.2
[M+Na]+ 211.10934 146.1
[M-H]- 187.11284 147.8
[M+NH4]+ 206.15394 161.1
[M+K]+ 227.08328 143.5
[M+H-H2O]+ 171.11738 135.2
[M+HCOO]- 233.11832 162.1
[M+CH3COO]- 247.13397 182.1
[M+Na-2H]- 209.09479 146.6
[M]+ 188.11957 136.7
[M]- 188.12067 136.7
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