CID 61673820

2-[(2-methoxyphenyl)methyl]cyclopentan-1-one

Structural Information

Molecular Formula
C13H16O2
SMILES
COC1=CC=CC=C1CC2CCCC2=O
InChI
InChI=1S/C13H16O2/c1-15-13-8-3-2-5-11(13)9-10-6-4-7-12(10)14/h2-3,5,8,10H,4,6-7,9H2,1H3
InChIKey
MLAXLJRAOMDRJC-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenyl)methyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 146.4
[M+Na]+ 227.10426 158.6
[M+NH4]+ 222.14886 155.5
[M+K]+ 243.07820 153.1
[M-H]- 203.10776 150.1
[M+Na-2H]- 225.08971 153.2
[M]+ 204.11449 149.1
[M]- 204.11559 149.1
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

No patent data available for this compound.