CID 519682

1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1=CC=C(C=C1)CN2C(=O)C(C(C2=O)O)O
InChI
InChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2
InChIKey
IZBMPGFJNIDMRR-UHFFFAOYSA-N
Compound name
1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

221.0688 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 145.3
[M+Na]+ 244.05802 154.1
[M-H]- 220.06152 148.8
[M+NH4]+ 239.10262 163.0
[M+K]+ 260.03196 150.7
[M+H-H2O]+ 204.06606 139.1
[M+HCOO]- 266.06700 165.5
[M+CH3COO]- 280.08265 182.6
[M+Na-2H]- 242.04347 147.0
[M]+ 221.06825 144.0
[M]- 221.06935 144.0
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