CID 83172

13139-17-8

Structural Information

Molecular Formula

C₁₂H₁₁NO₅

SMILES

C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

MJSHDCCLFGOEIK-UHFFFAOYSA-N

Compound name

benzyl (2,5-dioxopyrrolidin-1-yl) carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7803
Patents: 249.06372 Da
Monoisotopic Mass: 1.1
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]+	250.070996	151.3
[M+Na]+	272.052938	158.7
[M-H]-	248.056444	156.8
[M+NH4]+	267.097543	168.5
[M+K]+	288.026878	157.3
[M+H-H2O]+	232.060980	143.9
[M+HCOO]-	294.061921	173.6
[M+CH3COO]-	308.077571	188.9
[M+Na-2H]-	270.038386	153.6
[M]+	249.06317142	153.1
[M]-	249.06426858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe