CID 108235

Cyclopentanone, 2-(3-phenylpropylidene)-

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 146.2
[M+Na]+ 223.10934 152.3
[M-H]- 199.11284 152.3
[M+NH4]+ 218.15394 166.9
[M+K]+ 239.08328 148.3
[M+H-H2O]+ 183.11738 139.7
[M+HCOO]- 245.11832 169.1
[M+CH3COO]- 259.13397 183.5
[M+Na-2H]- 221.09479 149.0
[M]+ 200.11957 143.5
[M]- 200.12067 143.5
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.