CID 224401

N-allylphthalimide

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C=CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H9NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6H,1,7H2

InChIKey

MHHGQWMCVNQHLG-UHFFFAOYSA-N

Compound name

2-prop-2-enylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 749
Patents: 187.06332 Da
Monoisotopic Mass: 2.0
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]+	188.07060	137.2
[M+Na]+	210.05254	147.7
[M-H]-	186.05604	141.0
[M+NH4]+	205.09714	158.9
[M+K]+	226.02648	144.0
[M+H-H2O]+	170.06058	131.4
[M+HCOO]-	232.06152	160.1
[M+CH3COO]-	246.07717	182.6
[M+Na-2H]-	208.03799	142.0
[M]+	187.06277	138.4
[M]-	187.06387	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe