CID 217311

38527-74-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄

SMILES

CCC1(CCC(=O)NC1=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-2-13(8-7-11(16)14-12(13)17)9-5-3-4-6-10(9)15(18)19/h3-6H,2,7-8H2,1H3,(H,14,16,17)

InChIKey

FFUZYZRMKNOKJW-UHFFFAOYSA-N

Compound name

3-ethyl-3-(2-nitrophenyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.09537 Da
Monoisotopic Mass: 1.7
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]+	263.102646	156.7
[M+Na]+	285.084588	162.7
[M-H]-	261.088094	160.6
[M+NH4]+	280.129193	172.2
[M+K]+	301.058528	155.3
[M+H-H2O]+	245.092630	154.2
[M+HCOO]-	307.093571	176.1
[M+CH3COO]-	321.109221	186.6
[M+Na-2H]-	283.070036	162.6
[M]+	262.09482142	151.6
[M]-	262.09591858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe