CID 155389423

2-amino-3-(4-amino-6-hydroxy-2-methylpyrimidin-5-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H12N4O3
SMILES
CC1=NC(=C(C(=O)N1)CC(C(=O)O)N)N
InChI
InChI=1S/C8H12N4O3/c1-3-11-6(10)4(7(13)12-3)2-5(9)8(14)15/h5H,2,9H2,1H3,(H,14,15)(H3,10,11,12,13)
InChIKey
OWICREWFTDSWDU-UHFFFAOYSA-N
Compound name
2-amino-3-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.09094 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 145.2
[M+Na]+ 235.08016 153.6
[M+NH4]+ 230.12476 149.1
[M+K]+ 251.05410 151.9
[M-H]- 211.08366 143.6
[M+Na-2H]- 233.06561 147.3
[M]+ 212.09039 145.2
[M]- 212.09149 145.2
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