CID 3050331

66186-09-2

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CCN1C(=O)CC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c1-2-13-11(14)8-10(12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

InChIKey

AYABTZPSYFDFGF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 203.09464 Da
Monoisotopic Mass: 1.2
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]+	204.10192	143.1
[M+Na]+	226.08386	151.7
[M-H]-	202.08736	148.8
[M+NH4]+	221.12846	162.8
[M+K]+	242.05780	148.7
[M+H-H2O]+	186.09190	136.3
[M+HCOO]-	248.09284	165.6
[M+CH3COO]-	262.10849	185.0
[M+Na-2H]-	224.06931	145.6
[M]+	203.09409	142.5
[M]-	203.09519	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe