CID 2307726

5-amino-isophthalamide

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

C1=C(C=C(C=C1C(=O)N)N)C(=O)N

InChI

InChI=1S/C8H9N3O2/c9-6-2-4(7(10)12)1-5(3-6)8(11)13/h1-3H,9H2,(H2,10,12)(H2,11,13)

InChIKey

UXPIWHPHEGRYLB-UHFFFAOYSA-N

Compound name

5-aminobenzene-1,3-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 179.06947 Da
Monoisotopic Mass: -1.0
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]+	180.07675	137.4
[M+Na]+	202.05869	145.9
[M+NH4]+	197.10329	143.7
[M+K]+	218.03263	142.9
[M-H]-	178.06219	139.1
[M+Na-2H]-	200.04414	141.5
[M]+	179.06892	138.5
[M]-	179.07002	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe