CID 14374492

4773-14-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H12N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7,12H2

InChIKey

SRMYNTUZHJDDER-UHFFFAOYSA-N

Compound name

2-(3-aminopropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 204.08987 Da
Monoisotopic Mass: 0.9
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]+	205.09715	142.9
[M+Na]+	227.07909	152.2
[M-H]-	203.08259	146.1
[M+NH4]+	222.12369	163.4
[M+K]+	243.05303	148.7
[M+H-H2O]+	187.08713	136.6
[M+HCOO]-	249.08807	166.0
[M+CH3COO]-	263.10372	187.8
[M+Na-2H]-	225.06454	147.1
[M]+	204.08932	143.1
[M]-	204.09042	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe