CID 253740

21754-36-9

Structural Information

Molecular Formula
C7H9N3O4
SMILES
C1=C(C(=O)NC(=O)N1)CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O4/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14)
InChIKey
MADBMKNEPDPYIO-UHFFFAOYSA-N
Compound name
2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.05931 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 139.4
[M+Na]+ 222.04853 147.4
[M-H]- 198.05203 136.6
[M+NH4]+ 217.09313 153.2
[M+K]+ 238.02247 144.0
[M+H-H2O]+ 182.05657 132.7
[M+HCOO]- 244.05751 157.3
[M+CH3COO]- 258.07316 178.1
[M+Na-2H]- 220.03398 142.6
[M]+ 199.05876 135.3
[M]- 199.05986 135.3
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

patents stripe