CID 231838

N-(2-methylallyl)-phthalimide

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: 29
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]+	202.086256	142.0
[M+Na]+	224.068198	151.8
[M-H]-	200.071704	145.7
[M+NH4]+	219.112803	163.1
[M+K]+	240.042138	148.3
[M+H-H2O]+	184.076240	136.2
[M+HCOO]-	246.077181	163.5
[M+CH3COO]-	260.092831	186.5
[M+Na-2H]-	222.053646	145.1
[M]+	201.07843142	142.9
[M]-	201.07952858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe