CID 716426

2,5-dioxopyrrolidin-1-yl benzoate

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
BVUOEDOMUOJKOY-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

969
Patents

219.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.9
[M+Na]+ 242.04238 151.8
[M-H]- 218.04588 149.5
[M+NH4]+ 237.08698 162.4
[M+K]+ 258.01632 150.1
[M+H-H2O]+ 202.05042 136.8
[M+HCOO]- 264.05136 166.3
[M+CH3COO]- 278.06701 184.4
[M+Na-2H]- 240.02783 146.6
[M]+ 219.05261 144.0
[M]- 219.05371 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