CID 110642

5301-31-5

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCN(C1)C2CCN(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c17-14-13(15-9-4-5-10-15)8-11-16(14)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChIKey
OUGSOKCMASPUBA-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyrrolidin-1-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.7
[M+Na]+ 253.13112 159.4
[M-H]- 229.13462 160.3
[M+NH4]+ 248.17572 171.9
[M+K]+ 269.10506 156.0
[M+H-H2O]+ 213.13916 145.0
[M+HCOO]- 275.14010 173.1
[M+CH3COO]- 289.15575 165.3
[M+Na-2H]- 251.11657 153.0
[M]+ 230.14135 148.7
[M]- 230.14245 148.7
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

No patent data available for this compound.