CID 74645

N-aminophthalimide

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)N

InChI

InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2

InChIKey

KSILMCDYDAKOJD-UHFFFAOYSA-N

Compound name

2-aminoisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 1597
Patents: 162.04292 Da
Monoisotopic Mass: 0.6
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]+	163.05020	128.9
[M+Na]+	185.03214	139.6
[M-H]-	161.03564	132.7
[M+NH4]+	180.07674	151.2
[M+K]+	201.00608	136.8
[M+H-H2O]+	145.04018	123.3
[M+HCOO]-	207.04112	153.0
[M+CH3COO]-	221.05677	178.6
[M+Na-2H]-	183.01759	134.8
[M]+	162.04237	128.1
[M]-	162.04347	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe