CID 72914

3-aminophthalimide

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC2=C(C(=C1)N)C(=O)NC2=O

InChI

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

InChIKey

GQBONCZDJQXPLV-UHFFFAOYSA-N

Compound name

4-aminoisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1671
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	129.6
[M+Na]+	185.03214	139.8
[M-H]-	161.03564	131.9
[M+NH4]+	180.07674	151.1
[M+K]+	201.00608	136.1
[M+H-H2O]+	145.04018	124.2
[M+HCOO]-	207.04112	152.2
[M+CH3COO]-	221.05677	176.2
[M+Na-2H]-	183.01759	135.0
[M]+	162.04237	126.9
[M]-	162.04347	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe