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
2
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]+ 201.127396 146.2
[M+Na]+ 223.109338 152.3
[M-H]- 199.112844 152.3
[M+NH4]+ 218.153943 166.9
[M+K]+ 239.083278 148.3
[M+H-H2O]+ 183.117380 139.7
[M+HCOO]- 245.118321 169.1
[M+CH3COO]- 259.133971 183.5
[M+Na-2H]- 221.094786 149.0
[M]+ 200.11957142 143.5
[M]- 200.12066858 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.