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

1
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 145.0
[M+Na]+ 227.10426 152.1
[M-H]- 203.10776 151.7
[M+NH4]+ 222.14886 165.9
[M+K]+ 243.07820 149.5
[M+H-H2O]+ 187.11230 138.8
[M+HCOO]- 249.11324 168.4
[M+CH3COO]- 263.12889 185.1
[M+Na-2H]- 225.08971 147.8
[M]+ 204.11449 144.6
[M]- 204.11559 144.6
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