CID 161339

Methindione

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CCC1(C(=O)C2=CC=CC=C2C1=O)NC

InChI

InChI=1S/C12H13NO2/c1-3-12(13-2)10(14)8-6-4-5-7-9(8)11(12)15/h4-7,13H,3H2,1-2H3

InChIKey

LDYGJOOHMBDCHE-UHFFFAOYSA-N

Compound name

2-ethyl-2-(methylamino)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 7
Patents: 203.09464 Da
Monoisotopic Mass: 1.8
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	143.6
[M+Na]+	226.08386	155.1
[M+NH4]+	221.12846	153.6
[M+K]+	242.05780	148.4
[M-H]-	202.08736	145.8
[M+Na-2H]-	224.06931	149.8
[M]+	203.09409	145.8
[M]-	203.09519	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe