CID 78375

1-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC(=O)N(C1)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
JMVIVASFFKKFQK-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3831
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 134.6
[M+Na]+ 184.07328 147.3
[M+NH4]+ 179.11788 143.9
[M+K]+ 200.04722 142.0
[M-H]- 160.07678 138.0
[M+Na-2H]- 182.05873 142.4
[M]+ 161.08351 137.2
[M]- 161.08461 137.2
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