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

29
Patents

183.06439 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.9
[M+Na]+ 206.053608 144.3
[M-H]- 182.057114 135.1
[M+NH4]+ 201.098213 151.9
[M+K]+ 222.027548 141.7
[M+H-H2O]+ 166.061650 129.9
[M+HCOO]- 228.062591 156.0
[M+CH3COO]- 242.078241 177.5
[M+Na-2H]- 204.039056 141.3
[M]+ 183.06384142 133.6
[M]- 183.06493858 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