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 143.6
[M+Na]+ 211.10934 149.5
[M-H]- 187.11284 149.9
[M+NH4]+ 206.15394 166.5
[M+K]+ 227.08328 147.0
[M+H-H2O]+ 171.11738 137.7
[M+HCOO]- 233.11832 165.7
[M+CH3COO]- 247.13397 181.3
[M+Na-2H]- 209.09479 147.4
[M]+ 188.11957 140.6
[M]- 188.12067 140.6
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