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]+ 127.05021 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
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.