CID 108235

2-(3-phenylpropylidene)cyclopentan-1-one

Structural Information

Molecular Formula
C14H16O
SMILES
C1CC(=CCCC2=CC=CC=C2)C(=O)C1
InChI
InChI=1S/C14H16O/c15-14-11-5-10-13(14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2
InChIKey
IWPCQYNYKGMVEC-UHFFFAOYSA-N
Compound name
2-(3-phenylpropylidene)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 148.0
[M+Na]+ 223.10934 160.1
[M+NH4]+ 218.15394 157.2
[M+K]+ 239.08328 153.5
[M-H]- 199.11284 151.9
[M+Na-2H]- 221.09479 155.1
[M]+ 200.11957 150.7
[M]- 200.12067 150.7
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.