CID 364532

105969-84-4

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

C1=CC2=C(C=C1N)C(=O)N(C2=O)O

InChI

InChI=1S/C8H6N2O3/c9-4-1-2-5-6(3-4)8(12)10(13)7(5)11/h1-3,13H,9H2

InChIKey

UYEPIVQISLENOL-UHFFFAOYSA-N

Compound name

5-amino-2-hydroxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 703
Patents: 178.03784 Da
Monoisotopic Mass: 0.2
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]+	179.04512	132.3
[M+Na]+	201.02706	143.2
[M-H]-	177.03056	135.0
[M+NH4]+	196.07166	153.3
[M+K]+	217.00100	140.1
[M+H-H2O]+	161.03510	127.0
[M+HCOO]-	223.03604	155.0
[M+CH3COO]-	237.05169	179.7
[M+Na-2H]-	199.01251	137.1
[M]+	178.03729	131.4
[M]-	178.03839	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe