CID 10241299

3-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CNC(=O)C1CC2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKey
KWFHSBMVLYCBQP-UHFFFAOYSA-N
Compound name
3-benzylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
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 138.0
[M+Na]+ 198.08894 144.6
[M-H]- 174.09244 141.7
[M+NH4]+ 193.13354 157.7
[M+K]+ 214.06288 141.0
[M+H-H2O]+ 158.09698 131.1
[M+HCOO]- 220.09792 159.0
[M+CH3COO]- 234.11357 175.9
[M+Na-2H]- 196.07439 142.0
[M]+ 175.09917 133.7
[M]- 175.10027 133.7
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