CID 11041505

2-(3,5-dimethylphenyl)cyclopentan-1-one

Structural Information

Molecular Formula
C13H16O
SMILES
CC1=CC(=CC(=C1)C2CCCC2=O)C
InChI
InChI=1S/C13H16O/c1-9-6-10(2)8-11(7-9)12-4-3-5-13(12)14/h6-8,12H,3-5H2,1-2H3
InChIKey
SSCFSWPCUPNIJY-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 140.9
[M+Na]+ 211.109338 149.0
[M-H]- 187.112844 148.0
[M+NH4]+ 206.153943 162.9
[M+K]+ 227.083278 145.9
[M+H-H2O]+ 171.117380 135.2
[M+HCOO]- 233.118321 164.0
[M+CH3COO]- 247.133971 184.2
[M+Na-2H]- 209.094786 143.1
[M]+ 188.11957142 139.5
[M]- 188.12066858 139.5
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.