CID 21813639

2-amino-3-(pyrimidin-5-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1=C(C=NC=N1)CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O2/c8-6(7(11)12)1-5-2-9-4-10-3-5/h2-4,6H,1,8H2,(H,11,12)
InChIKey
UFURPNJIXOBVRS-UHFFFAOYSA-N
Compound name
2-amino-3-pyrimidin-5-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

167.06947 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 134.3
[M+Na]+ 190.058688 141.0
[M-H]- 166.062194 133.5
[M+NH4]+ 185.103293 150.5
[M+K]+ 206.032628 139.3
[M+H-H2O]+ 150.066730 126.9
[M+HCOO]- 212.067671 154.5
[M+CH3COO]- 226.083321 177.2
[M+Na-2H]- 188.044136 140.1
[M]+ 167.06892142 131.8
[M]- 167.07001858 131.8
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