CID 1272738

16296-42-7

Structural Information

Molecular Formula
C8H9N3O5
SMILES
C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O
InChI
InChI=1S/C8H9N3O5/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16)
InChIKey
HLVBXSGXJVQJGW-UHFFFAOYSA-N
Compound name
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05421 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06149 144.6
[M+Na]+ 250.04343 152.3
[M-H]- 226.04693 142.1
[M+NH4]+ 245.08803 157.4
[M+K]+ 266.01737 149.0
[M+H-H2O]+ 210.05147 137.5
[M+HCOO]- 272.05241 163.2
[M+CH3COO]- 286.06806 182.5
[M+Na-2H]- 248.02888 148.4
[M]+ 227.05366 142.5
[M]- 227.05476 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.