CID 99881

5-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC(=O)NC1CC2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKey
UJTLWBQZNAXBAQ-UHFFFAOYSA-N
Compound name
5-benzylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

94
Patents

175.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 139.6
[M+Na]+ 198.08894 151.5
[M+NH4]+ 193.13354 148.3
[M+K]+ 214.06288 146.2
[M-H]- 174.09244 142.4
[M+Na-2H]- 196.07439 146.5
[M]+ 175.09917 141.9
[M]- 175.10027 141.9
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