CID 22326325

2-amino-3-(4-hydroxypyrimidin-2-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1=CN=C(NC1=O)CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O3/c8-4(7(12)13)3-5-9-2-1-6(11)10-5/h1-2,4H,3,8H2,(H,12,13)(H,9,10,11)
InChIKey
PMCIWYPDCBJOCD-UHFFFAOYSA-N
Compound name
2-amino-3-(6-oxo-1H-pyrimidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

183.06439 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.9
[M+Na]+ 206.05361 144.3
[M-H]- 182.05711 135.1
[M+NH4]+ 201.09821 151.9
[M+K]+ 222.02755 141.7
[M+H-H2O]+ 166.06165 129.9
[M+HCOO]- 228.06259 156.0
[M+CH3COO]- 242.07824 177.5
[M+Na-2H]- 204.03906 141.3
[M]+ 183.06384 133.6
[M]- 183.06494 133.6
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