CID 746981

10135-23-6

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC(=O)N(C1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-7-4-9-13(12)10-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKey
GKZJJXFFNOSPHJ-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

189.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.0
[M+Na]+ 212.104588 148.6
[M-H]- 188.108094 146.9
[M+NH4]+ 207.149193 161.9
[M+K]+ 228.078528 145.7
[M+H-H2O]+ 172.112630 134.7
[M+HCOO]- 234.113571 164.1
[M+CH3COO]- 248.129221 181.6
[M+Na-2H]- 210.090036 145.9
[M]+ 189.11482142 139.9
[M]- 189.11591858 139.9
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