CID 10375226

1-(1-phenylcyclopentyl)ethan-1-one

Structural Information

Molecular Formula
C13H16O
SMILES
CC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c1-11(14)13(9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey
FYZSUFJYONELHJ-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclopentyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

188.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 144.6
[M+Na]+ 211.10934 156.3
[M+NH4]+ 206.15394 155.6
[M+K]+ 227.08328 149.0
[M-H]- 187.11284 148.5
[M+Na-2H]- 209.09479 153.4
[M]+ 188.11957 147.5
[M]- 188.12067 147.5
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

patents stripe