CID 23594656

Schembl27480462

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

3
Patents

126.04293 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 122.2
[M+Na]+ 149.032148 130.5
[M-H]- 125.035654 123.1
[M+NH4]+ 144.076753 142.0
[M+K]+ 165.006088 128.3
[M+H-H2O]+ 109.040190 116.6
[M+HCOO]- 171.041131 143.6
[M+CH3COO]- 185.056781 168.7
[M+Na-2H]- 147.017596 127.9
[M]+ 126.04238142 116.9
[M]- 126.04347858 116.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.