CID 133618089

2-amino-3-(2-amino-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C7H10N4O3
SMILES
C1=C(C(=O)NC(=N1)N)CC(C(=O)O)N
InChI
InChI=1S/C7H10N4O3/c8-4(6(13)14)1-3-2-10-7(9)11-5(3)12/h2,4H,1,8H2,(H,13,14)(H3,9,10,11,12)
InChIKey
IIYAGBPZKCYYSJ-UHFFFAOYSA-N
Compound name
2-amino-3-(2-amino-6-oxo-1H-pyrimidin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.07529 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 141.1
[M+Na]+ 221.064508 148.6
[M-H]- 197.068014 139.2
[M+NH4]+ 216.109113 155.2
[M+K]+ 237.038448 145.7
[M+H-H2O]+ 181.072550 133.9
[M+HCOO]- 243.073491 160.6
[M+CH3COO]- 257.089141 183.7
[M+Na-2H]- 219.049956 144.1
[M]+ 198.07474142 136.5
[M]- 198.07583858 136.5
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