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 146.1
[M+Na]+ 235.08016 154.0
[M-H]- 211.08366 144.4
[M+NH4]+ 230.12476 159.9
[M+K]+ 251.05410 151.0
[M+H-H2O]+ 195.08820 138.9
[M+HCOO]- 257.08914 165.1
[M+CH3COO]- 271.10479 188.1
[M+Na-2H]- 233.06561 147.7
[M]+ 212.09039 142.2
[M]- 212.09149 142.2
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