CID 2735353

5-aminoisatoic anhydride

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

C1=CC2=C(C=C1N)C(=O)OC(=O)N2

InChI

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

InChIKey

QEQDLBKVHJXPJA-UHFFFAOYSA-N

Compound name

6-amino-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 178.03784 Da
Monoisotopic Mass: 0.3
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	131.9
[M+Na]+	201.02706	145.9
[M+NH4]+	196.07166	139.4
[M+K]+	217.00100	140.9
[M-H]-	177.03056	134.7
[M+Na-2H]-	199.01251	137.8
[M]+	178.03729	134.5
[M]-	178.03839	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe