CID 23594656

Chebi:231893

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

C1C=C(C(=O)NC1=O)N

InChI

InChI=1S/C5H6N2O2/c6-3-1-2-4(8)7-5(3)9/h1H,2,6H2,(H,7,8,9)

InChIKey

LLEPOVIGJSBULW-UHFFFAOYSA-N

Compound name

5-amino-3H-pyridine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 126.04293 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]+	127.05021	122.2
[M+Na]+	149.03215	130.5
[M-H]-	125.03565	123.1
[M+NH4]+	144.07675	142.0
[M+K]+	165.00609	128.3
[M+H-H2O]+	109.04019	116.6
[M+HCOO]-	171.04113	143.6
[M+CH3COO]-	185.05678	168.7
[M+Na-2H]-	147.01760	127.9
[M]+	126.04238	116.9
[M]-	126.04348	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe