CID 10082072

4-acetyl-1-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c1-10(15)12-7-13(16)14(9-12)8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKey
AWRBCMYGSHMVHB-UHFFFAOYSA-N
Compound name
4-acetyl-1-benzylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

217.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.4
[M+Na]+ 240.09950 155.4
[M-H]- 216.10300 153.7
[M+NH4]+ 235.14410 167.2
[M+K]+ 256.07344 152.6
[M+H-H2O]+ 200.10754 141.2
[M+HCOO]- 262.10848 169.6
[M+CH3COO]- 276.12413 187.7
[M+Na-2H]- 238.08495 149.9
[M]+ 217.10973 147.2
[M]- 217.11083 147.2
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