CID 13339790

2,5-dioxopyrrolidin-1-yl 2-phenylacetate

Structural Information

Molecular Formula
C12H11NO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H11NO4/c14-10-6-7-11(15)13(10)17-12(16)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
GGAVHCUOCBTTDM-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

233.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 148.5
[M+Na]+ 256.058018 156.0
[M-H]- 232.061524 154.0
[M+NH4]+ 251.102623 166.4
[M+K]+ 272.031958 154.0
[M+H-H2O]+ 216.066060 141.3
[M+HCOO]- 278.067001 170.6
[M+CH3COO]- 292.082651 187.4
[M+Na-2H]- 254.043466 150.7
[M]+ 233.06825142 149.0
[M]- 233.06934858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe