CID 22298457

1822430-71-6

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1=C(C(=O)NC=N1)CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O3/c8-5(7(12)13)1-4-2-9-3-10-6(4)11/h2-3,5H,1,8H2,(H,12,13)(H,9,10,11)
InChIKey
WAZQYQQNKFUNFO-UHFFFAOYSA-N
Compound name
2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.06439 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.9
[M+Na]+ 206.05361 146.4
[M+NH4]+ 201.09821 141.8
[M+K]+ 222.02755 143.9
[M-H]- 182.05711 135.2
[M+Na-2H]- 204.03906 140.6
[M]+ 183.06384 137.2
[M]- 183.06494 137.2
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