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

64
Patents

233.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.5
[M+Na]+ 256.05802 156.0
[M-H]- 232.06152 154.0
[M+NH4]+ 251.10262 166.4
[M+K]+ 272.03196 154.0
[M+H-H2O]+ 216.06606 141.3
[M+HCOO]- 278.06700 170.6
[M+CH3COO]- 292.08265 187.4
[M+Na-2H]- 254.04347 150.7
[M]+ 233.06825 149.0
[M]- 233.06935 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