CID 95672

5-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC(=O)NC1C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKey
TVESJBDGOZUZRH-UHFFFAOYSA-N
Compound name
5-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

306
Patents

161.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.4
[M+Na]+ 184.07328 140.5
[M-H]- 160.07678 137.3
[M+NH4]+ 179.11788 153.7
[M+K]+ 200.04722 137.1
[M+H-H2O]+ 144.08132 126.8
[M+HCOO]- 206.08226 154.7
[M+CH3COO]- 220.09791 172.9
[M+Na-2H]- 182.05873 137.9
[M]+ 161.08351 128.8
[M]- 161.08461 128.8
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