CID 98624

1-benzoylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1CC(=O)N(C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
VYXRTZYURDKMLT-UHFFFAOYSA-N
Compound name
1-benzoylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1013
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 140.0
[M+Na]+ 212.06820 147.0
[M-H]- 188.07170 145.2
[M+NH4]+ 207.11280 159.7
[M+K]+ 228.04214 144.7
[M+H-H2O]+ 172.07624 132.9
[M+HCOO]- 234.07718 161.9
[M+CH3COO]- 248.09283 179.9
[M+Na-2H]- 210.05365 143.2
[M]+ 189.07843 137.6
[M]- 189.07953 137.6
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