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

7
Patents

204.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 144.4
[M+Na]+ 227.10426 150.5
[M-H]- 203.10776 150.7
[M+NH4]+ 222.14886 163.3
[M+K]+ 243.07820 148.0
[M+H-H2O]+ 187.11230 137.5
[M+HCOO]- 249.11324 165.5
[M+CH3COO]- 263.12889 185.5
[M+Na-2H]- 225.08971 148.7
[M]+ 204.11449 141.8
[M]- 204.11559 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