CID 82415431

2-phenylpyrrolidin-3-one hydrochloride

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CNC(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c12-9-6-7-11-10(9)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKey
AUKCFBQZMJEFNW-UHFFFAOYSA-N
Compound name
2-phenylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.08406 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe