CID 112756249

3-(2-phenylethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CNC(=O)C1CCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-11(8-9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKey
CSWKEJRXBCOELI-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.6
[M+Na]+ 212.104588 148.7
[M-H]- 188.108094 146.1
[M+NH4]+ 207.149193 161.7
[M+K]+ 228.078528 144.8
[M+H-H2O]+ 172.112630 135.5
[M+HCOO]- 234.113571 163.2
[M+CH3COO]- 248.129221 178.9
[M+Na-2H]- 210.090036 146.0
[M]+ 189.11482142 138.6
[M]- 189.11591858 138.6
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.