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 150.0
[M+Na]+ 241.11990 156.3
[M-H]- 217.12340 156.5
[M+NH4]+ 236.16450 170.2
[M+K]+ 257.09384 154.0
[M+H-H2O]+ 201.12794 143.7
[M+HCOO]- 263.12888 171.9
[M+CH3COO]- 277.14453 188.9
[M+Na-2H]- 239.10535 151.0
[M]+ 218.13013 149.3
[M]- 218.13123 149.3
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.