CID 77789

4137-12-6

Structural Information

Molecular Formula

C₁₁H₈N₂O₄

SMILES

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

InChI

InChI=1S/C11H8N2O4/c1-7-6-10(14)12(11(7)15)8-2-4-9(5-3-8)13(16)17/h2-5H,1,6H2

InChIKey

SAUNUEJOWUIADF-UHFFFAOYSA-N

Compound name

3-methylidene-1-(4-nitrophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 232.0484 Da
Monoisotopic Mass: 1.2
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]+	233.05568	148.2
[M+Na]+	255.03762	160.7
[M+NH4]+	250.08222	154.8
[M+K]+	271.01156	159.8
[M-H]-	231.04112	151.1
[M+Na-2H]-	253.02307	153.2
[M]+	232.04785	150.4
[M]-	232.04895	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe