CID 99443

N-(4-methoxyphenyl)itaconimide

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

COC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O

InChI

InChI=1S/C12H11NO3/c1-8-7-11(14)13(12(8)15)9-3-5-10(16-2)6-4-9/h3-6H,1,7H2,2H3

InChIKey

WBDXCBZSLZXLCT-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 217.0739 Da
Monoisotopic Mass: 1.3
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]+	218.08118	147.4
[M+Na]+	240.06312	159.8
[M+NH4]+	235.10772	154.6
[M+K]+	256.03706	155.7
[M-H]-	216.06662	149.4
[M+Na-2H]-	238.04857	152.8
[M]+	217.07335	149.5
[M]-	217.07445	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe