CID 20444907

1227465-60-2

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

CC1=CC2=C(C=C1N)C(=O)NC2=O

InChI

InChI=1S/C9H8N2O2/c1-4-2-5-6(3-7(4)10)9(13)11-8(5)12/h2-3H,10H2,1H3,(H,11,12,13)

InChIKey

LPZKZQICLYRDON-UHFFFAOYSA-N

Compound name

5-amino-6-methylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 176.05858 Da
Monoisotopic Mass: 0.4
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]+	177.06586	135.2
[M+Na]+	199.04780	146.5
[M+NH4]+	194.09240	142.9
[M+K]+	215.02174	143.3
[M-H]-	175.05130	136.1
[M+Na-2H]-	197.03325	138.8
[M]+	176.05803	136.7
[M]-	176.05913	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe