CID 19030151

2-methoxy-4-phenylcyclohexan-1-one

Structural Information

Molecular Formula
C13H16O2
SMILES
COC1CC(CCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O2/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKey
BDWYLSNDWRACPH-UHFFFAOYSA-N
Compound name
2-methoxy-4-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 144.4
[M+Na]+ 227.104258 150.5
[M-H]- 203.107764 150.7
[M+NH4]+ 222.148863 163.3
[M+K]+ 243.078198 148.0
[M+H-H2O]+ 187.112300 137.5
[M+HCOO]- 249.113241 165.5
[M+CH3COO]- 263.128891 185.5
[M+Na-2H]- 225.089706 148.7
[M]+ 204.11449142 141.8
[M]- 204.11558858 141.8
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