CID 43504876

1-(2-(cyclopentyloxy)-5-methylphenyl)ethan-1-one

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1=CC(=C(C=C1)OC2CCCC2)C(=O)C
InChI
InChI=1S/C14H18O2/c1-10-7-8-14(13(9-10)11(2)15)16-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
InChIKey
XSCJPXBHLMDWOM-UHFFFAOYSA-N
Compound name
1-(2-cyclopentyloxy-5-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 150.8
[M+Na]+ 241.11990 162.4
[M+NH4]+ 236.16450 159.5
[M+K]+ 257.09384 157.5
[M-H]- 217.12340 154.3
[M+Na-2H]- 239.10535 157.0
[M]+ 218.13013 153.3
[M]- 218.13123 153.3
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.