CID 135426859

Nsc78776

Structural Information

Molecular Formula
C5H6N4O3
SMILES
C1(=C(N=C(NC1=O)N)C(=O)O)N
InChI
InChI=1S/C5H6N4O3/c6-1-2(4(11)12)8-5(7)9-3(1)10/h6H2,(H,11,12)(H3,7,8,9,10)
InChIKey
LEHSQNKJTKKEHJ-UHFFFAOYSA-N
Compound name
2,5-diamino-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04399 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.051266 132.5
[M+Na]+ 193.033208 142.0
[M-H]- 169.036714 131.1
[M+NH4]+ 188.077813 148.0
[M+K]+ 209.007148 139.0
[M+H-H2O]+ 153.041250 125.8
[M+HCOO]- 215.042191 153.5
[M+CH3COO]- 229.057841 178.0
[M+Na-2H]- 191.018656 136.8
[M]+ 170.04344142 128.1
[M]- 170.04453858 128.1
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

No patent data available for this compound.