CID 3050261

66064-08-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CON1C(=O)CC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c1-15-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

InChIKey

VMABOKLGFTUARO-UHFFFAOYSA-N

Compound name

1-methoxy-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.0739 Da
Monoisotopic Mass: 0.9
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]+	206.081176	141.4
[M+Na]+	228.063118	150.4
[M-H]-	204.066624	147.3
[M+NH4]+	223.107723	161.0
[M+K]+	244.037058	148.1
[M+H-H2O]+	188.071160	134.6
[M+HCOO]-	250.072101	164.4
[M+CH3COO]-	264.087751	184.1
[M+Na-2H]-	226.048566	144.6
[M]+	205.07335142	141.9
[M]-	205.07444858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe