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]+ 218.117556 148.4
[M+Na]+ 240.099498 155.4
[M-H]- 216.103004 153.7
[M+NH4]+ 235.144103 167.2
[M+K]+ 256.073438 152.6
[M+H-H2O]+ 200.107540 141.2
[M+HCOO]- 262.108481 169.6
[M+CH3COO]- 276.124131 187.7
[M+Na-2H]- 238.084946 149.9
[M]+ 217.10973142 147.2
[M]- 217.11082858 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