CID 605191

89143-07-7

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C=CC2=O

InChI

InChI=1S/C13H13NO3/c1-2-9-17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h3-8H,2,9H2,1H3

InChIKey

OVDHKYNXUCBNMQ-UHFFFAOYSA-N

Compound name

1-(4-propoxyphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.08954 Da
Monoisotopic Mass: 2.0
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]+	232.09682	151.4
[M+Na]+	254.07876	164.2
[M+NH4]+	249.12336	158.8
[M+K]+	270.05270	159.4
[M-H]-	230.08226	153.7
[M+Na-2H]-	252.06421	157.8
[M]+	231.08899	153.7
[M]-	231.09009	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe