CID 231838

6335-03-1

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC(=C)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6H,1,7H2,2H3

InChIKey

UYKVKZZKIUBBOK-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 23
Patents: 201.07898 Da
Monoisotopic Mass: 2.6
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]+	202.08626	143.8
[M+Na]+	224.06820	155.9
[M+NH4]+	219.11280	151.6
[M+K]+	240.04214	151.5
[M-H]-	200.07170	144.5
[M+Na-2H]-	222.05365	147.7
[M]+	201.07843	145.5
[M]-	201.07953	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe