CID 308434

3007-23-6

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC1=CC=CC(=C1)N2C(=O)C=CC2=O

InChI

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

InChIKey

UNCUTNPWBZKJHD-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 653
Patents: 203.05824 Da
Monoisotopic Mass: 1.1
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]+	204.06552	142.4
[M+Na]+	226.04746	155.6
[M+NH4]+	221.09206	150.1
[M+K]+	242.02140	151.3
[M-H]-	202.05096	144.8
[M+Na-2H]-	224.03291	149.4
[M]+	203.05769	144.8
[M]-	203.05879	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe