CID 13339790

23776-85-4

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: 58
Patents: 233.0688 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.07608	151.0
[M+Na]+	256.05802	161.8
[M+NH4]+	251.10262	157.4
[M+K]+	272.03196	158.6
[M-H]-	232.06152	152.0
[M+Na-2H]-	254.04347	156.0
[M]+	233.06825	152.4
[M]-	233.06935	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe