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

35
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

patents stripe