CID 97695

17392-68-6

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC1=CC=CC=C1N2C(=O)C=CC2=O

InChI

InChI=1S/C11H9NO3/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3

InChIKey

LJDGDRYFCIHDPX-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1874
Patents: 203.05824 Da
Monoisotopic Mass: 1.0
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]+	204.065516	139.7
[M+Na]+	226.047458	149.7
[M-H]-	202.050964	146.0
[M+NH4]+	221.092063	159.5
[M+K]+	242.021398	147.3
[M+H-H2O]+	186.055500	132.9
[M+HCOO]-	248.056441	164.2
[M+CH3COO]-	262.072091	183.7
[M+Na-2H]-	224.032906	143.9
[M]+	203.05769142	141.7
[M]-	203.05878858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe