CID 3050332

3-benzylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C(C(=O)NC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)
InChIKey
OVJRWHNWCJFPBL-UHFFFAOYSA-N
Compound name
3-benzylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

189.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 141.7
[M+Na]+ 212.06820 153.5
[M+NH4]+ 207.11280 149.6
[M+K]+ 228.04214 149.0
[M-H]- 188.07170 143.8
[M+Na-2H]- 210.05365 147.8
[M]+ 189.07843 143.7
[M]- 189.07953 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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