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

5
Patents

198.07529 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 141.1
[M+Na]+ 221.06451 148.6
[M-H]- 197.06801 139.2
[M+NH4]+ 216.10911 155.2
[M+K]+ 237.03845 145.7
[M+H-H2O]+ 181.07255 133.9
[M+HCOO]- 243.07349 160.6
[M+CH3COO]- 257.08914 183.7
[M+Na-2H]- 219.04996 144.1
[M]+ 198.07474 136.5
[M]- 198.07584 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