CID 378296

Mls000756695

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₄

SMILES

C1CC(=O)N(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C11H11N3O4/c12-8-6-7(14(17)18)4-5-9(8)13-10(15)2-1-3-11(13)16/h4-6H,1-3,12H2

InChIKey

MOUNJABOHJYSJO-UHFFFAOYSA-N

Compound name

1-(2-amino-4-nitrophenyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 249.07495 Da
Monoisotopic Mass: 0.2
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]+	250.08223	151.4
[M+Na]+	272.06417	157.8
[M-H]-	248.06767	156.5
[M+NH4]+	267.10877	165.7
[M+K]+	288.03811	150.8
[M+H-H2O]+	232.07221	148.1
[M+HCOO]-	294.07315	173.3
[M+CH3COO]-	308.08880	189.2
[M+Na-2H]-	270.04962	156.4
[M]+	249.07440	145.7
[M]-	249.07550	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.