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]+ 205.122316 145.0
[M+Na]+ 227.104258 152.1
[M-H]- 203.107764 151.7
[M+NH4]+ 222.148863 165.9
[M+K]+ 243.078198 149.5
[M+H-H2O]+ 187.112300 138.8
[M+HCOO]- 249.113241 168.4
[M+CH3COO]- 263.128891 185.1
[M+Na-2H]- 225.089706 147.8
[M]+ 204.11449142 144.6
[M]- 204.11558858 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