CID 290154

2-phenylcyclopentanone

Structural Information

Molecular Formula
C11H12O
SMILES
C1CC(C(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
NPELEPAOYMNNRW-UHFFFAOYSA-N
Compound name
2-phenylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

160.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 133.0
[M+Na]+ 183.078038 140.1
[M-H]- 159.081544 139.7
[M+NH4]+ 178.122643 155.4
[M+K]+ 199.051978 137.5
[M+H-H2O]+ 143.086080 127.1
[M+HCOO]- 205.087021 156.8
[M+CH3COO]- 219.102671 175.9
[M+Na-2H]- 181.063486 137.6
[M]+ 160.08827142 130.1
[M]- 160.08936858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe